N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C18H19N5O2S — CID 9471010

IUPACN-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H19N5O2S/c1-13(14-5-7-15(8-6-14)23-12-19-11-21-23)22(2)17(24)10-20-18(25)16-4-3-9-26-16/h3-9,11-13H,10H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyFXJXNCBGRQUZOZ-CYBMUJFWSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9471010) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9471010
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H19N5O2S/c1-13(14-5-7-15(8-6-14)23-12-19-11-21-23)22(2)17(24)10-20-18(25)16-4-3-9-26-16/h3-9,11-13H,10H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyFXJXNCBGRQUZOZ-CYBMUJFWSA-N
XLogP2.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-bromo-N-[2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]benzamide
CID 112795514
N-methyl-2-thiophen-2-ylsulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 30898329
(E)-N-methyl-3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 9471293
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
4-acetamido-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 94174421
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057
5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 24610948
N-methyl-4-oxo-4-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9471078
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471243
2-cyclopentyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808650
5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 85018454
3-[[dimethyl(phenyl)silyl]methyl]-1-methyl-1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 124852726

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 9471010) is N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FXJXNCBGRQUZOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-13(14-5-7-15(8-6-14)23-12-19-11-21-23)22(2)17(24)10-20-18(25)16-4-3-9-26-16/h3-9,11-13H,10H2,1-2H3,(H,20,25)/t13-/m1/s1.
What are the key properties of N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9471010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).