N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

C17H26N2O3S — CID 954280

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1
InChIInChI=1S/C17H26N2O3S/c1-23(21,22)19(14-11-16-9-5-4-6-10-16)15-17(20)18-12-7-2-3-8-13-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKeyPFLWVJQPMUNHAA-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 954280) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID954280
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1
InChIInChI=1S/C17H26N2O3S/c1-23(21,22)19(14-11-16-9-5-4-6-10-16)15-17(20)18-12-7-2-3-8-13-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKeyPFLWVJQPMUNHAA-UHFFFAOYSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (CID 954280) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is PFLWVJQPMUNHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23(21,22)19(14-11-16-9-5-4-6-10-16)15-17(20)18-12-7-2-3-8-13-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 954280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).