5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide

C14H13BrN2O2S — CID 39134325

IUPAC5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O2S/c1-8-3-4-9(13(18)16-2)5-11(8)17-14(19)10-6-12(15)20-7-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyGWKORFVWCZZYHS-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide

5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 39134325) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID39134325
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O2S/c1-8-3-4-9(13(18)16-2)5-11(8)17-14(19)10-6-12(15)20-7-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyGWKORFVWCZZYHS-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N,4-dimethyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzamide
CID 46439270
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
1-[(5-bromothiophene-3-carbonyl)amino]-3-methylurea
CID 86835866

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 39134325) is 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2csc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is GWKORFVWCZZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-8-3-4-9(13(18)16-2)5-11(8)17-14(19)10-6-12(15)20-7-10/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 39134325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).