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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Related Compounds

Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 846406
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(2,5-dimethoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846544
N-(3-Methoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846687
N-(2,5-Dimethoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 1102396
2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2078037
N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 2914790
N-(2-methoxyphenyl)-2-(1-piperidinyl)acetamide
CID 975241
1-(2-Methoxyphenyl)-4-((4-(2-methoxyphenyl)-1-piperazinyl)(oxo)acetyl)piperazine
CID 3716113
1-(4-(2-Methoxyphenyl)piperazin-1-yl)ethan-1-one
CID 4208154

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).