3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide

C19H16BrNOS — CID 55757567

IUPAC3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2sccc2Br)c2ccccc2)cc1
InChIInChI=1S/C19H16BrNOS/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)21-19(22)18-16(20)11-12-23-18/h2-12,17H,1H3,(H,21,22)
InChIKeyXCSSQDBCJRNFBR-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.34
Rot. Bonds4

About 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide

3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide (PubChem CID 55757567) has the molecular formula C19H16BrNOS and a molecular weight of 386.31 g/mol. Its IUPAC name is 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
PubChem CID55757567
Molecular FormulaC19H16BrNOS
Molecular Weight386.31 g/mol
Exact Mass385.01
IUPAC Name3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2sccc2Br)c2ccccc2)cc1
InChIInChI=1S/C19H16BrNOS/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)21-19(22)18-16(20)11-12-23-18/h2-12,17H,1H3,(H,21,22)
InChIKeyXCSSQDBCJRNFBR-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62034219
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 114300348

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide (CID 55757567) is 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide is Cc1ccc(C(NC(=O)c2sccc2Br)c2ccccc2)cc1.
What is the InChIKey of 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide?
The InChIKey is XCSSQDBCJRNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNOS/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)21-19(22)18-16(20)11-12-23-18/h2-12,17H,1H3,(H,21,22).
What are the key properties of 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide?
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide has a molecular weight of 386.31 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55757567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).