3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide

C22H28N2O3S — CID 24571384

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCCC2)cc(C)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-13-18(14-20(17(16)2)28(26,27)23-3)21(25)24-15-22(11-7-8-12-22)19-9-5-4-6-10-19/h4-6,9-10,13-14,23H,7-8,11-12,15H2,1-3H3,(H,24,25)
InChIKeyKHMBESKWJYIJMM-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.45
Rot. Bonds6

About 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide (PubChem CID 24571384) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide
PubChem CID24571384
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCCC2)cc(C)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-13-18(14-20(17(16)2)28(26,27)23-3)21(25)24-15-22(11-7-8-12-22)19-9-5-4-6-10-19/h4-6,9-10,13-14,23H,7-8,11-12,15H2,1-3H3,(H,24,25)
InChIKeyKHMBESKWJYIJMM-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 32545458
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide (CID 24571384) is 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide is CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCCC2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The InChIKey is KHMBESKWJYIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-13-18(14-20(17(16)2)28(26,27)23-3)21(25)24-15-22(11-7-8-12-22)19-9-5-4-6-10-19/h4-6,9-10,13-14,23H,7-8,11-12,15H2,1-3H3,(H,24,25).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 24571384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).