N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide

C17H18N4O3S2 — CID 30944474

IUPACN-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N4O3S2/c22-17(19-8-2-10-21-11-9-18-13-21)14-4-6-15(7-5-14)20-26(23,24)16-3-1-12-25-16/h1,3-7,9,11-13,20H,2,8,10H2,(H,19,22)
InChIKeyYWPWYIFXKAGSFZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.57
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 30944474) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID30944474
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N4O3S2/c22-17(19-8-2-10-21-11-9-18-13-21)14-4-6-15(7-5-14)20-26(23,24)16-3-1-12-25-16/h1,3-7,9,11-13,20H,2,8,10H2,(H,19,22)
InChIKeyYWPWYIFXKAGSFZ-UHFFFAOYSA-N
XLogP2.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 30944474) is N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is YWPWYIFXKAGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c22-17(19-8-2-10-21-11-9-18-13-21)14-4-6-15(7-5-14)20-26(23,24)16-3-1-12-25-16/h1,3-7,9,11-13,20H,2,8,10H2,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 30944474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).