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

C16H24N2O4S — CID 808127

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-22-15-10-6-5-9-14(15)18(23(2,20)21)13-16(19)17-11-7-3-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyJSORRRDAFSIMKE-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.86
Rot. Bonds5

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide (PubChem CID 808127) 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]-N-(2-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide
PubChem CID808127
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-22-15-10-6-5-9-14(15)18(23(2,20)21)13-16(19)17-11-7-3-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyJSORRRDAFSIMKE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide (CID 808127) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide is COc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide?
The InChIKey is JSORRRDAFSIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-10-6-5-9-14(15)18(23(2,20)21)13-16(19)17-11-7-3-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.86, 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]-N-(2-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 808127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).