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

C18H28N2O3S — CID 1006898

IUPACN-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)13-19-24(22,23)17-10-7-15(8-11-17)9-12-18(21)20-16-5-3-4-6-16/h7-8,10-11,14,16,19H,3-6,9,12-13H2,1-2H3,(H,20,21)
InChIKeyBLDPTZPFQFBWHX-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.61
Rot. Bonds8

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

N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1006898) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1006898
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)13-19-24(22,23)17-10-7-15(8-11-17)9-12-18(21)20-16-5-3-4-6-16/h7-8,10-11,14,16,19H,3-6,9,12-13H2,1-2H3,(H,20,21)
InChIKeyBLDPTZPFQFBWHX-UHFFFAOYSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1006898) is N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is BLDPTZPFQFBWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)13-19-24(22,23)17-10-7-15(8-11-17)9-12-18(21)20-16-5-3-4-6-16/h7-8,10-11,14,16,19H,3-6,9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1006898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).