N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide

C17H16N4O2S — CID 31409970

IUPACN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(5-7-19-17(23)13-6-10-24-11-13)20-14-1-3-15(4-2-14)21-9-8-18-12-21/h1-4,6,8-12H,5,7H2,(H,19,23)(H,20,22)
InChIKeyNWABVRNNTAERRV-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 31409970) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID31409970
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(5-7-19-17(23)13-6-10-24-11-13)20-14-1-3-15(4-2-14)21-9-8-18-12-21/h1-4,6,8-12H,5,7H2,(H,19,23)(H,20,22)
InChIKeyNWABVRNNTAERRV-UHFFFAOYSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49423955
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30267459
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 31409970) is N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NWABVRNNTAERRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(5-7-19-17(23)13-6-10-24-11-13)20-14-1-3-15(4-2-14)21-9-8-18-12-21/h1-4,6,8-12H,5,7H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 31409970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).