N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C18H28N2O3S — CID 2435085

IUPACN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyKAFCJRDLUFNIGQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.81
Rot. Bonds6

About N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 2435085) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID2435085
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyKAFCJRDLUFNIGQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide 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-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 2435085) is N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is KAFCJRDLUFNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2435085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).