N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C19H30N2O3S — CID 1210859

IUPACN-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-15(2)14-20-25(23,24)18-11-8-16(9-12-18)10-13-19(22)21-17-6-4-3-5-7-17/h8-9,11-12,15,17,20H,3-7,10,13-14H2,1-2H3,(H,21,22)
InChIKeyXJXMWWBODBWYEY-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.00
Rot. Bonds8

About N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1210859) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1210859
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-15(2)14-20-25(23,24)18-11-8-16(9-12-18)10-13-19(22)21-17-6-4-3-5-7-17/h8-9,11-12,15,17,20H,3-7,10,13-14H2,1-2H3,(H,21,22)
InChIKeyXJXMWWBODBWYEY-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1210859) is N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is XJXMWWBODBWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15(2)14-20-25(23,24)18-11-8-16(9-12-18)10-13-19(22)21-17-6-4-3-5-7-17/h8-9,11-12,15,17,20H,3-7,10,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 366.53 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1210859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).