3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide

C24H32N2O4S — CID 56517189

IUPAC3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H32N2O4S/c1-18(2)26(21-12-8-9-13-21)24(27)20-14-15-22(30-4)23(16-20)31(28,29)25(3)17-19-10-6-5-7-11-19/h5-7,10-11,14-16,18,21H,8-9,12-13,17H2,1-4H3
InChIKeyNJYGNVJUGZHJEY-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.31
Rot. Bonds8

About 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide

3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 56517189) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
PubChem CID56517189
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H32N2O4S/c1-18(2)26(21-12-8-9-13-21)24(27)20-14-15-22(30-4)23(16-20)31(28,29)25(3)17-19-10-6-5-7-11-19/h5-7,10-11,14-16,18,21H,8-9,12-13,17H2,1-4H3
InChIKeyNJYGNVJUGZHJEY-UHFFFAOYSA-N
XLogP4.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
CID 55514916
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
CID 167908879

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide (CID 56517189) is 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is NJYGNVJUGZHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-18(2)26(21-12-8-9-13-21)24(27)20-14-15-22(30-4)23(16-20)31(28,29)25(3)17-19-10-6-5-7-11-19/h5-7,10-11,14-16,18,21H,8-9,12-13,17H2,1-4H3.
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide?
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 444.60 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 56517189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).