4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide

C20H32N2O3S — CID 54077127

IUPAC4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyMKMKPZPVJJLJPI-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.81
Rot. Bonds8

About 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide

4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide (PubChem CID 54077127) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide
PubChem CID54077127
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyMKMKPZPVJJLJPI-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide (CID 54077127) is 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCC(C)C2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide?
The InChIKey is MKMKPZPVJJLJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23).
What are the key properties of 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide?
4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide has a molecular weight of 380.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 54077127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).