N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

C14H13ClN2O2S — CID 27678340

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-17(2)14(19)9-5-6-10(15)11(8-9)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18)
InChIKeyXYEAEAMNFZONJT-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.36
Rot. Bonds3

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 27678340) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID27678340
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-17(2)14(19)9-5-6-10(15)11(8-9)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18)
InChIKeyXYEAEAMNFZONJT-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192813
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[2-chloro-5-[2-(diethylamino)ethyl-(2-methylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60557294
N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30860283

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 27678340) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is XYEAEAMNFZONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-17(2)14(19)9-5-6-10(15)11(8-9)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27678340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).