3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

C14H12BrClN2O2S — CID 60778293

IUPAC3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2sccc2Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2S/c1-18(2)14(20)9-7-8(3-4-11(9)16)17-13(19)12-10(15)5-6-21-12/h3-7H,1-2H3,(H,17,19)
InChIKeyDBPDIKZLFAKYJR-UHFFFAOYSA-N
MW387.69 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 60778293) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID60778293
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC Name3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2sccc2Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2S/c1-18(2)14(20)9-7-8(3-4-11(9)16)17-13(19)12-10(15)5-6-21-12/h3-7H,1-2H3,(H,17,19)
InChIKeyDBPDIKZLFAKYJR-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60547724
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 60778293) is 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is CN(C)C(=O)c1cc(NC(=O)c2sccc2Br)ccc1Cl.
What is the InChIKey of 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is DBPDIKZLFAKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c1-18(2)14(20)9-7-8(3-4-11(9)16)17-13(19)12-10(15)5-6-21-12/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 387.69 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60778293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).