N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide

C16H22N4O3S — CID 91834351

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCCc2nccn2C)cc1
InChIInChI=1S/C16H22N4O3S/c1-3-9-19-24(22,23)14-6-4-13(5-7-14)16(21)18-10-8-15-17-11-12-20(15)2/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyLXWVWOWQPGEILB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.08
Rot. Bonds8

About N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide

N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide (PubChem CID 91834351) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
PubChem CID91834351
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCCc2nccn2C)cc1
InChIInChI=1S/C16H22N4O3S/c1-3-9-19-24(22,23)14-6-4-13(5-7-14)16(21)18-10-8-15-17-11-12-20(15)2/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyLXWVWOWQPGEILB-UHFFFAOYSA-N
XLogP1.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 118771709
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 62186633
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide (CID 91834351) is N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NCCc2nccn2C)cc1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is LXWVWOWQPGEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-3-9-19-24(22,23)14-6-4-13(5-7-14)16(21)18-10-8-15-17-11-12-20(15)2/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 350.44 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 91834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).