N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

C17H24N2O5S — CID 2943924

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O5S/c1-25(21,22)19(13-17(20)18-8-4-2-3-5-9-18)14-6-7-15-16(12-14)24-11-10-23-15/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeySDWLNFDJEFJXAW-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (PubChem CID 2943924) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
PubChem CID2943924
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O5S/c1-25(21,22)19(13-17(20)18-8-4-2-3-5-9-18)14-6-7-15-16(12-14)24-11-10-23-15/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeySDWLNFDJEFJXAW-UHFFFAOYSA-N
XLogP1.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Methoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846687
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 4883942
N-Cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 7584944
N-(tert-Butylcarbamoyl-methyl)-N-cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 24792459
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 895245
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 985723
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[(methylsulfonyl)phenylamino]propanami de
CID 3151136
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 649037
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[(2-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 654373

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (CID 2943924) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The InChIKey is SDWLNFDJEFJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-25(21,22)19(13-17(20)18-8-4-2-3-5-9-18)14-6-7-15-16(12-14)24-11-10-23-15/h6-7,12H,2-5,8-11,13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is sourced from PubChem (CID 2943924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).