N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile

C120H139N33O9S7 — CID 160758586

IUPACN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)[C@H](CC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(C)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(CC)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.N#CC1(n2cc([C@@H](CC(=O)c3ccsc3)C3CCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@@H]3CCCCO3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@H]3CCCCO3)nn2)CC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@H](NC(=O)c2ccsc2)c2cn(C3(C#N)CC3)nn2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C18H21N5OS.C18H20N4OS.2C17H19N5O2S.C17H21N5OS.C17H20N4OS.C16H19N5OS/c19-12-18(7-8-18)23-10-15(21-22-23)16(13-4-2-1-3-5-13)20-17(24)14-6-9-25-11-14;19-12-18(6-7-18)22-10-16(20-21-22)15(13-3-1-2-4-13)9-17(23)14-5-8-24-11-14;2*18-11-17(5-6-17)22-9-13(20-21-22)15(14-3-1-2-7-24-14)19-16(23)12-4-8-25-10-12;1-3-12(4-2)15(19-16(23)13-5-8-24-10-13)14-9-22(21-20-14)17(11-18)6-7-17;1-16(2,3)13(8-15(22)12-4-7-23-10-12)14-9-21(20-19-14)17(11-18)5-6-17;1-3-11(2)14(18-15(22)12-4-7-23-9-12)13-8-21(20-19-13)16(10-17)5-6-16/h6,9-11,13,16H,1-5,7-8H2,(H,20,24);5,8,10-11,13,15H,1-4,6-7,9H2;2*4,8-10,14-15H,1-3,5-7H2,(H,19,23);5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,19,23);4,7,9-10,13H,5-6,8H2,1-3H3;4,7-9,11,14H,3,5-6H2,1-2H3,(H,18,22)/t16-;15-;14-,15+;14-,15-;15-;13-;11?,14-/m0001010/s1/i1D2,2D2,3D2,4D2,5D2,13D;;;;;;
InChIKeyRXTHFNVGNSJZNI-FTHIELQDSA-N
MW2423.19 g/mol
LogP21.97
Rot. Bonds39

About N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile

N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile (PubChem CID 160758586) has the molecular formula C120H139N33O9S7 and a molecular weight of 2423.19 g/mol. Its IUPAC name is N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound NameN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile
PubChem CID160758586
Molecular FormulaC120H139N33O9S7
Molecular Weight2423.19 g/mol
Exact Mass2421.02
IUPAC NameN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)[C@H](CC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(C)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(CC)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.N#CC1(n2cc([C@@H](CC(=O)c3ccsc3)C3CCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@@H]3CCCCO3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@H]3CCCCO3)nn2)CC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@H](NC(=O)c2ccsc2)c2cn(C3(C#N)CC3)nn2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C18H21N5OS.C18H20N4OS.2C17H19N5O2S.C17H21N5OS.C17H20N4OS.C16H19N5OS/c19-12-18(7-8-18)23-10-15(21-22-23)16(13-4-2-1-3-5-13)20-17(24)14-6-9-25-11-14;19-12-18(6-7-18)22-10-16(20-21-22)15(13-3-1-2-4-13)9-17(23)14-5-8-24-11-14;2*18-11-17(5-6-17)22-9-13(20-21-22)15(14-3-1-2-7-24-14)19-16(23)12-4-8-25-10-12;1-3-12(4-2)15(19-16(23)13-5-8-24-10-13)14-9-22(21-20-14)17(11-18)6-7-17;1-16(2,3)13(8-15(22)12-4-7-23-10-12)14-9-21(20-19-14)17(11-18)5-6-17;1-3-11(2)14(18-15(22)12-4-7-23-9-12)13-8-21(20-19-13)16(10-17)5-6-16/h6,9-11,13,16H,1-5,7-8H2,(H,20,24);5,8,10-11,13,15H,1-4,6-7,9H2;2*4,8-10,14-15H,1-3,5-7H2,(H,19,23);5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,19,23);4,7,9-10,13H,5-6,8H2,1-3H3;4,7-9,11,14H,3,5-6H2,1-2H3,(H,18,22)/t16-;15-;14-,15+;14-,15-;15-;13-;11?,14-/m0001010/s1/i1D2,2D2,3D2,4D2,5D2,13D;;;;;;
InChIKeyRXTHFNVGNSJZNI-FTHIELQDSA-N
XLogP21.97
TPSA579.60 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002423.19
LogP ≤ 521.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile?
The IUPAC name of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile (CID 160758586) is N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile is CC(C)(C)[C@H](CC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(C)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.CCC(CC)[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.N#CC1(n2cc([C@@H](CC(=O)c3ccsc3)C3CCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@@H]3CCCCO3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@H]3CCCCO3)nn2)CC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@H](NC(=O)c2ccsc2)c2cn(C3(C#N)CC3)nn2)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile?
The InChIKey is RXTHFNVGNSJZNI-FTHIELQDSA-N. The full InChI is InChI=1S/C18H21N5OS.C18H20N4OS.2C17H19N5O2S.C17H21N5OS.C17H20N4OS.C16H19N5OS/c19-12-18(7-8-18)23-10-15(21-22-23)16(13-4-2-1-3-5-13)20-17(24)14-6-9-25-11-14;19-12-18(6-7-18)22-10-16(20-21-22)15(13-3-1-2-4-13)9-17(23)14-5-8-24-11-14;2*18-11-17(5-6-17)22-9-13(20-21-22)15(14-3-1-2-7-24-14)19-16(23)12-4-8-25-10-12;1-3-12(4-2)15(19-16(23)13-5-8-24-10-13)14-9-22(21-20-14)17(11-18)6-7-17;1-16(2,3)13(8-15(22)12-4-7-23-10-12)14-9-21(20-19-14)17(11-18)5-6-17;1-3-11(2)14(18-15(22)12-4-7-23-9-12)13-8-21(20-19-13)16(10-17)5-6-16/h6,9-11,13,16H,1-5,7-8H2,(H,20,24);5,8,10-11,13,15H,1-4,6-7,9H2;2*4,8-10,14-15H,1-3,5-7H2,(H,19,23);5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,19,23);4,7,9-10,13H,5-6,8H2,1-3H3;4,7-9,11,14H,3,5-6H2,1-2H3,(H,18,22)/t16-;15-;14-,15+;14-,15-;15-;13-;11?,14-/m0001010/s1/i1D2,2D2,3D2,4D2,5D2,13D;;;;;;.
What are the key properties of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile?
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 2423.19 g/mol, XLogP of 21.97, 39 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 160758586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).