5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide

C18H19N5O2S — CID 24610948

IUPAC5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C18H19N5O2S/c1-12(14-4-6-15(7-5-14)23-11-19-10-20-23)22(3)18(25)16-8-9-17(26-16)21-13(2)24/h4-12H,1-3H3,(H,21,24)
InChIKeyANGPPXWNGCDGDM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.12
Rot. Bonds5

About 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide

5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 24610948) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID24610948
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C18H19N5O2S/c1-12(14-4-6-15(7-5-14)23-11-19-10-20-23)22(3)18(25)16-8-9-17(26-16)21-13(2)24/h4-12H,1-3H3,(H,21,24)
InChIKeyANGPPXWNGCDGDM-UHFFFAOYSA-N
XLogP3.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 85018454
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 55383750
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31744287
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
(E)-N-methyl-3-(5-methylthiophen-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 9471279
4-acetamido-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 94174421
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
4-cyano-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17419687
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9471010

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide (CID 24610948) is 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)s1.
What is the InChIKey of 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is ANGPPXWNGCDGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12(14-4-6-15(7-5-14)23-11-19-10-20-23)22(3)18(25)16-8-9-17(26-16)21-13(2)24/h4-12H,1-3H3,(H,21,24).
What are the key properties of 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide?
5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24610948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).