N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide

C17H16N4O2S — CID 37195585

IUPACN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(7-8-19-17(23)15-2-1-11-24-15)20-13-3-5-14(6-4-13)21-10-9-18-12-21/h1-6,9-12H,7-8H2,(H,19,23)(H,20,22)
InChIKeySBYDZUZLIRCUSH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 37195585) 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-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID37195585
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(7-8-19-17(23)15-2-1-11-24-15)20-13-3-5-14(6-4-13)21-10-9-18-12-21/h1-6,9-12H,7-8H2,(H,19,23)(H,20,22)
InChIKeySBYDZUZLIRCUSH-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-3-carboxamide
CID 31409970
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[4-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 42917645
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 37195585) is N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is SBYDZUZLIRCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(7-8-19-17(23)15-2-1-11-24-15)20-13-3-5-14(6-4-13)21-10-9-18-12-21/h1-6,9-12H,7-8H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 37195585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).