N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide

C13H11BrClNOS — CID 103526991

IUPACN-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C13H11BrClNOS/c1-7-3-9(14)5-10(4-7)16-13(17)12-11(15)8(2)6-18-12/h3-6H,1-2H3,(H,16,17)
InChIKeyNTBROIUJVNHUFM-UHFFFAOYSA-N
MW344.66 g/mol
LogP5.03
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103526991) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103526991
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC NameN-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C13H11BrClNOS/c1-7-3-9(14)5-10(4-7)16-13(17)12-11(15)8(2)6-18-12/h3-6H,1-2H3,(H,16,17)
InChIKeyNTBROIUJVNHUFM-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 107578779
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 114258897
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107580400
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406160
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(E)-3-[3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 103400239

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103526991) is N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2scc(C)c2Cl)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is NTBROIUJVNHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-7-3-9(14)5-10(4-7)16-13(17)12-11(15)8(2)6-18-12/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 344.66 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103526991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).