4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C16H20N4O4S — CID 2051278

IUPAC4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1
InChIInChI=1S/C16H20N4O4S/c1-12-18-19-16(24-12)17-15(21)13-6-8-14(9-7-13)25(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3,(H,17,19,21)
InChIKeyAAZKZTDKDUVMLT-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.20
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051278) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051278
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1
InChIInChI=1S/C16H20N4O4S/c1-12-18-19-16(24-12)17-15(21)13-6-8-14(9-7-13)25(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3,(H,17,19,21)
InChIKeyAAZKZTDKDUVMLT-UHFFFAOYSA-N
XLogP2.20
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051278) is 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is AAZKZTDKDUVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-18-19-16(24-12)17-15(21)13-6-8-14(9-7-13)25(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3,(H,17,19,21).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).