2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide

C16H23N3O4S — CID 55683241

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-12-7-3-4-9-14(12)19(24(2,22)23)11-15(20)18-13-8-5-6-10-17-16(13)21/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyTURVBMJGQSCZJE-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.55
Rot. Bonds5

About 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 55683241) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID55683241
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-12-7-3-4-9-14(12)19(24(2,22)23)11-15(20)18-13-8-5-6-10-17-16(13)21/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyTURVBMJGQSCZJE-UHFFFAOYSA-N
XLogP0.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 96998148
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 55661395
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186
2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26565871
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 51946918

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide (CID 55683241) is 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide is Cc1ccccc1N(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is TURVBMJGQSCZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12-7-3-4-9-14(12)19(24(2,22)23)11-15(20)18-13-8-5-6-10-17-16(13)21/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 55683241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).