4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide

C18H28N2O4S — CID 46799189

IUPAC4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C)CC2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H28N2O4S/c1-12(2)20-25(22,23)17-11-14(7-10-16(17)24-4)18(21)19-15-8-5-13(3)6-9-15/h7,10-13,15,20H,5-6,8-9H2,1-4H3,(H,19,21)
InChIKeyMVCRNGBQHNVWGB-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.69
Rot. Bonds6

About 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46799189) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46799189
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C)CC2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H28N2O4S/c1-12(2)20-25(22,23)17-11-14(7-10-16(17)24-4)18(21)19-15-8-5-13(3)6-9-15/h7,10-13,15,20H,5-6,8-9H2,1-4H3,(H,19,21)
InChIKeyMVCRNGBQHNVWGB-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 46799189) is 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)NC2CCC(C)CC2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MVCRNGBQHNVWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-12(2)20-25(22,23)17-11-14(7-10-16(17)24-4)18(21)19-15-8-5-13(3)6-9-15/h7,10-13,15,20H,5-6,8-9H2,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46799189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).