4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide

C18H28N2O3S — CID 39032121

IUPAC4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-14(3)20-24(22,23)17-11-7-15(8-12-17)18(21)19-16-9-5-13(2)6-10-16/h7-8,11-14,16,20H,4-6,9-10H2,1-3H3,(H,19,21)/t13?,14-,16?/m1/s1
InChIKeyDPQYDPUFGKNANW-NPCAHTBFSA-N
MW352.50 g/mol
LogP3.07
Rot. Bonds6

About 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide

4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide (PubChem CID 39032121) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
PubChem CID39032121
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-14(3)20-24(22,23)17-11-7-15(8-12-17)18(21)19-16-9-5-13(2)6-10-16/h7-8,11-14,16,20H,4-6,9-10H2,1-3H3,(H,19,21)/t13?,14-,16?/m1/s1
InChIKeyDPQYDPUFGKNANW-NPCAHTBFSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111
N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
CID 46485032
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700441
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8954903
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide (CID 39032121) is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide?
The InChIKey is DPQYDPUFGKNANW-NPCAHTBFSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-14(3)20-24(22,23)17-11-7-15(8-12-17)18(21)19-16-9-5-13(2)6-10-16/h7-8,11-14,16,20H,4-6,9-10H2,1-3H3,(H,19,21)/t13?,14-,16?/m1/s1.
What are the key properties of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide?
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide has a molecular weight of 352.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 39032121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).