N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide

C17H12ClN3O3S — CID 46652846

IUPACN-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H12ClN3O3S/c18-11-6-5-10(16(23)21-15-13(22)3-1-7-19-15)9-12(11)20-17(24)14-4-2-8-25-14/h1-9,22H,(H,20,24)(H,19,21,23)
InChIKeyJELVJMHSQSQQPH-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.01
Rot. Bonds4

About N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 46652846) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID46652846
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC NameN-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H12ClN3O3S/c18-11-6-5-10(16(23)21-15-13(22)3-1-7-19-15)9-12(11)20-17(24)14-4-2-8-25-14/h1-9,22H,(H,20,24)(H,19,21,23)
InChIKeyJELVJMHSQSQQPH-UHFFFAOYSA-N
XLogP4.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
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-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46665119
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55826534
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 46652846) is N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ncccc1O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is JELVJMHSQSQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c18-11-6-5-10(16(23)21-15-13(22)3-1-7-19-15)9-12(11)20-17(24)14-4-2-8-25-14/h1-9,22H,(H,20,24)(H,19,21,23).
What are the key properties of N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46652846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).