N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide

C16H24N2O4S — CID 893362

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-17(13-16(19)18-11-5-3-4-6-12-18)23(20,21)15-9-7-14(22-2)8-10-15/h7-10H,3-6,11-13H2,1-2H3
InChIKeyWZTDWSNALYGIPF-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 893362) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID893362
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-17(13-16(19)18-11-5-3-4-6-12-18)23(20,21)15-9-7-14(22-2)8-10-15/h7-10H,3-6,11-13H2,1-2H3
InChIKeyWZTDWSNALYGIPF-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide 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-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide (CID 893362) is N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is WZTDWSNALYGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-17(13-16(19)18-11-5-3-4-6-12-18)23(20,21)15-9-7-14(22-2)8-10-15/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).