N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide

C18H22F2N4O2S — CID 170257409

IUPACN-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1nnc(CNC2C[C@H]2c2cc(C(=O)NC3CCC(F)(F)CC3)cs2)o1
InChIInChI=1S/C18H22F2N4O2S/c1-10-23-24-16(26-10)8-21-14-7-13(14)15-6-11(9-27-15)17(25)22-12-2-4-18(19,20)5-3-12/h6,9,12-14,21H,2-5,7-8H2,1H3,(H,22,25)/t13-,14?/m1/s1
InChIKeyQWUOQHZVOJPKGU-KWCCSABGSA-N
MW396.46 g/mol
LogP3.39
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide (PubChem CID 170257409) has the molecular formula C18H22F2N4O2S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
PubChem CID170257409
Molecular FormulaC18H22F2N4O2S
Molecular Weight396.46 g/mol
Exact Mass396.14
IUPAC NameN-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1nnc(CNC2C[C@H]2c2cc(C(=O)NC3CCC(F)(F)CC3)cs2)o1
InChIInChI=1S/C18H22F2N4O2S/c1-10-23-24-16(26-10)8-21-14-7-13(14)15-6-11(9-27-15)17(25)22-12-2-4-18(19,20)5-3-12/h6,9,12-14,21H,2-5,7-8H2,1H3,(H,22,25)/t13-,14?/m1/s1
InChIKeyQWUOQHZVOJPKGU-KWCCSABGSA-N
XLogP3.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
4-[[[(1R,2R)-2-[4-[(3,3-difluorocyclohexyl)carbamoyl]thiophen-2-yl]cyclopropyl]amino]methyl]benzoic acid
CID 154491709
N-cyclopentyl-5-[2-(cyclopropylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432933
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118433325
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide
CID 118432835
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 118432877
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914602
5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118432944
(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 131031494
[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
CID 118437477

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide (CID 170257409) is N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide is Cc1nnc(CNC2C[C@H]2c2cc(C(=O)NC3CCC(F)(F)CC3)cs2)o1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide?
The InChIKey is QWUOQHZVOJPKGU-KWCCSABGSA-N. The full InChI is InChI=1S/C18H22F2N4O2S/c1-10-23-24-16(26-10)8-21-14-7-13(14)15-6-11(9-27-15)17(25)22-12-2-4-18(19,20)5-3-12/h6,9,12-14,21H,2-5,7-8H2,1H3,(H,22,25)/t13-,14?/m1/s1.
What are the key properties of N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 170257409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).