N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide

C14H12ClN3O3S — CID 43006993

IUPACN-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESCC(=O)NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12ClN3O3S/c1-8(19)17-18-13(20)9-4-5-10(15)11(7-9)16-14(21)12-3-2-6-22-12/h2-7H,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyAVNFZLBLJFTHRE-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.43
Rot. Bonds3

About N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide

N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 43006993) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID43006993
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC NameN-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESCC(=O)NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12ClN3O3S/c1-8(19)17-18-13(20)9-4-5-10(15)11(7-9)16-14(21)12-3-2-6-22-12/h2-7H,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyAVNFZLBLJFTHRE-UHFFFAOYSA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
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-[(benzylcarbamothioylamino)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 26837214
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 43005371

Frequently Asked Questions

What is the IUPAC name of N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide (CID 43006993) is N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide is CC(=O)NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is AVNFZLBLJFTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-8(19)17-18-13(20)9-4-5-10(15)11(7-9)16-14(21)12-3-2-6-22-12/h2-7H,1H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 337.79 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43006993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).