5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide

C20H25N3O4S — CID 24686491

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C20H25N3O4S/c1-15-7-10-19(21-14-15)22-20(24)17-13-16(8-9-18(17)27-2)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22,24)
InChIKeyAAZUNUGHJCORQR-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.22
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24686491) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24686491
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C20H25N3O4S/c1-15-7-10-19(21-14-15)22-20(24)17-13-16(8-9-18(17)27-2)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22,24)
InChIKeyAAZUNUGHJCORQR-UHFFFAOYSA-N
XLogP3.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 24686491) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is AAZUNUGHJCORQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-7-10-19(21-14-15)22-20(24)17-13-16(8-9-18(17)27-2)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22,24).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24686491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).