N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide

C20H18N2O2S — CID 46580901

IUPACN-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c23-19(10-12-21-20(24)17-11-13-25-14-17)22-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,21,24)(H,22,23)
InChIKeyJOXNTONCDXZKEQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.17
Rot. Bonds6

About N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide

N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide (PubChem CID 46580901) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
PubChem CID46580901
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c23-19(10-12-21-20(24)17-11-13-25-14-17)22-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,21,24)(H,22,23)
InChIKeyJOXNTONCDXZKEQ-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49423955
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[3-[4-(benzylamino)-3-chloroanilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49494657
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 31409970
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30267459
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide (CID 46580901) is N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide?
The InChIKey is JOXNTONCDXZKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(10-12-21-20(24)17-11-13-25-14-17)22-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide?
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 46580901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).