N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide

C16H24N2O4S — CID 815973

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-9-7-8-14(12-15)18(23(2,20)21)13-16(19)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeySQMOHKIARRXKLO-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide (PubChem CID 815973) 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-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide
PubChem CID815973
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-9-7-8-14(12-15)18(23(2,20)21)13-16(19)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeySQMOHKIARRXKLO-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

Ucm 793
CID 24750192
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
N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 2914790
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanesulfonamide
CID 2943924
3-{4-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10569822
N-[2{(3-Methoxyphenyl)-amino]ethyl}acetamide
CID 24750070
N-methyl-N-{2-[(3-methoxyphenyl)-phenylamino]ethyl}acetamide
CID 24750195
1-Piperidineacetamide, N-(3-methoxyphenyl)-
CID 218188

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide (CID 815973) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide is COc1cccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is SQMOHKIARRXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-9-7-8-14(12-15)18(23(2,20)21)13-16(19)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11,13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-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-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 815973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).