4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide

C20H32N2O7S — CID 3095256

IUPAC4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C20H32N2O7S/c1-17-3-5-19(6-4-17)30(24,25)21-18(2)20(23)22-7-9-26-11-13-28-15-16-29-14-12-27-10-8-22/h3-6,18,21H,7-16H2,1-2H3
InChIKeyKHIOTAZRISKFPG-UHFFFAOYSA-N
MW444.55 g/mol
LogP0.57
Rot. Bonds4

About 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide

4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide (PubChem CID 3095256) has the molecular formula C20H32N2O7S and a molecular weight of 444.55 g/mol. Its IUPAC name is 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide
PubChem CID3095256
Molecular FormulaC20H32N2O7S
Molecular Weight444.55 g/mol
Exact Mass444.19
IUPAC Name4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C20H32N2O7S/c1-17-3-5-19(6-4-17)30(24,25)21-18(2)20(23)22-7-9-26-11-13-28-15-16-29-14-12-27-10-8-22/h3-6,18,21H,7-16H2,1-2H3
InChIKeyKHIOTAZRISKFPG-UHFFFAOYSA-N
XLogP0.57
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide 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 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide (CID 3095256) is 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is KHIOTAZRISKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O7S/c1-17-3-5-19(6-4-17)30(24,25)21-18(2)20(23)22-7-9-26-11-13-28-15-16-29-14-12-27-10-8-22/h3-6,18,21H,7-16H2,1-2H3.
What are the key properties of 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide?
4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 444.55 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3095256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).