5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C13H12BrN3O2S — CID 47265799

IUPAC5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C13H12BrN3O2S/c1-8-2-5-11(15-6-8)17-12(18)7-16-13(19)9-3-4-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyLJVNINAGKCEEEA-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.58
Rot. Bonds4

About 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 47265799) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID47265799
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC Name5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C13H12BrN3O2S/c1-8-2-5-11(15-6-8)17-12(18)7-16-13(19)9-3-4-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyLJVNINAGKCEEEA-UHFFFAOYSA-N
XLogP2.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47051859
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781
5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 62353535
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 61076351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 47265799) is 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)s2)nc1.
What is the InChIKey of 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is LJVNINAGKCEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c1-8-2-5-11(15-6-8)17-12(18)7-16-13(19)9-3-4-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 354.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47265799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).