3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide

C17H21N3O4S — CID 1248982

IUPAC3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H21N3O4S/c1-13-6-7-14(17(21)18-16-8-11-24-19-16)12-15(13)25(22,23)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,19,21)
InChIKeyURLWCISXVCUWNU-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.80
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide

3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 1248982) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
PubChem CID1248982
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H21N3O4S/c1-13-6-7-14(17(21)18-16-8-11-24-19-16)12-15(13)25(22,23)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,19,21)
InChIKeyURLWCISXVCUWNU-UHFFFAOYSA-N
XLogP2.80
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide (CID 1248982) is 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is URLWCISXVCUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-6-7-14(17(21)18-16-8-11-24-19-16)12-15(13)25(22,23)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,19,21).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 1248982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).