N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide

C11H9ClN2OS — CID 82862106

IUPACN-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccsc2)cc1Cl
InChIInChI=1S/C11H9ClN2OS/c12-9-5-8(1-2-10(9)13)14-11(15)7-3-4-16-6-7/h1-6H,13H2,(H,14,15)
InChIKeyUXLVRPZSEMRLOL-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.24
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide

N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide (PubChem CID 82862106) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
PubChem CID82862106
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccsc2)cc1Cl
InChIInChI=1S/C11H9ClN2OS/c12-9-5-8(1-2-10(9)13)14-11(15)7-3-4-16-6-7/h1-6H,13H2,(H,14,15)
InChIKeyUXLVRPZSEMRLOL-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
CID 39170420
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide (CID 82862106) is N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide is Nc1ccc(NC(=O)c2ccsc2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is UXLVRPZSEMRLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-9-5-8(1-2-10(9)13)14-11(15)7-3-4-16-6-7/h1-6H,13H2,(H,14,15).
What are the key properties of N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide?
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 82862106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).