4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide

C20H15Br2NO2S — CID 3165980

IUPAC4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C20H15Br2NO2S/c1-11-12(2)26-20(23-19(25)14-5-9-16(22)10-6-14)17(11)18(24)13-3-7-15(21)8-4-13/h3-10H,1-2H3,(H,23,25)
InChIKeyNNEZNRPRETXWNT-UHFFFAOYSA-N
MW493.22 g/mol
LogP6.37
Rot. Bonds4

About 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide

4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 3165980) has the molecular formula C20H15Br2NO2S and a molecular weight of 493.22 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID3165980
Molecular FormulaC20H15Br2NO2S
Molecular Weight493.22 g/mol
Exact Mass490.92
IUPAC Name4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C20H15Br2NO2S/c1-11-12(2)26-20(23-19(25)14-5-9-16(22)10-6-14)17(11)18(24)13-3-7-15(21)8-4-13/h3-10H,1-2H3,(H,23,25)
InChIKeyNNEZNRPRETXWNT-UHFFFAOYSA-N
XLogP6.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]-3-methylbenzamide
CID 3165977
ethyl 2-[(4-bromobenzoyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 1221975
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
CID 1374953
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
propan-2-yl 4,5-dimethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 5211672
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide (CID 3165980) is 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is NNEZNRPRETXWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2NO2S/c1-11-12(2)26-20(23-19(25)14-5-9-16(22)10-6-14)17(11)18(24)13-3-7-15(21)8-4-13/h3-10H,1-2H3,(H,23,25).
What are the key properties of 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide?
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 493.22 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 3165980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).