N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide

C19H30N2O3S — CID 46224634

IUPACN-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22)
InChIKeyCNDQSCXSSCTHKH-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.90
Rot. Bonds6

About N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide

N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide (PubChem CID 46224634) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
PubChem CID46224634
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22)
InChIKeyCNDQSCXSSCTHKH-UHFFFAOYSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide (CID 46224634) is N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The InChIKey is CNDQSCXSSCTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22).
What are the key properties of N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide has a molecular weight of 366.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 46224634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).