N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C15H24N2O3S — CID 4786875

IUPACN,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-14(15(18)17(4)5)16-21(19,20)13-8-6-12(3)7-9-13/h6-9,11,14,16H,10H2,1-5H3
InChIKeyGMKUQASTSGQFRK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.78
Rot. Bonds6

About N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 4786875) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID4786875
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-14(15(18)17(4)5)16-21(19,20)13-8-6-12(3)7-9-13/h6-9,11,14,16H,10H2,1-5H3
InChIKeyGMKUQASTSGQFRK-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 4786875) is N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)C)cc1.
What is the InChIKey of N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is GMKUQASTSGQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)10-14(15(18)17(4)5)16-21(19,20)13-8-6-12(3)7-9-13/h6-9,11,14,16H,10H2,1-5H3.
What are the key properties of N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 312.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 4786875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).