2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

C14H13BrN2O2S — CID 1021509

IUPAC2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2Br)c(C(N)=O)c1C
InChIInChI=1S/C14H13BrN2O2S/c1-7-8(2)20-14(11(7)12(16)18)17-13(19)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJTOBUGIDZAZOJD-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.48
Rot. Bonds3

About 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1021509) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1021509
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2Br)c(C(N)=O)c1C
InChIInChI=1S/C14H13BrN2O2S/c1-7-8(2)20-14(11(7)12(16)18)17-13(19)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJTOBUGIDZAZOJD-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[(2-bromobenzoyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521196
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804228
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
ethyl 2-[(2-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
CID 1291201
2-[(2-fluorobenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4950387
(6R)-2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1083348
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
ethyl 4-carbamoyl-5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7521227
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 1021509) is 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccccc2Br)c(C(N)=O)c1C.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is JTOBUGIDZAZOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-7-8(2)20-14(11(7)12(16)18)17-13(19)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1021509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).