4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide

C13H13ClN2OS — CID 110861967

IUPAC4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)cs2)cc1
InChIInChI=1S/C13H13ClN2OS/c1-16(2)11-5-3-10(4-6-11)15-13(17)12-7-9(14)8-18-12/h3-8H,1-2H3,(H,15,17)
InChIKeyKICCRMOFLXIYGV-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide

4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 110861967) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
PubChem CID110861967
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)cs2)cc1
InChIInChI=1S/C13H13ClN2OS/c1-16(2)11-5-3-10(4-6-11)15-13(17)12-7-9(14)8-18-12/h3-8H,1-2H3,(H,15,17)
InChIKeyKICCRMOFLXIYGV-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide (CID 110861967) is 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(Cl)cs2)cc1.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is KICCRMOFLXIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-16(2)11-5-3-10(4-6-11)15-13(17)12-7-9(14)8-18-12/h3-8H,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide?
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 110861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).