5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide

C23H25N3O4S — CID 55342989

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H25N3O4S/c1-30-22-12-11-17(31(28,29)26-14-4-2-3-5-15-26)16-19(22)23(27)25-21-10-6-9-20-18(21)8-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)
InChIKeyIISSBTQFSOGMSR-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.06
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide (PubChem CID 55342989) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide
PubChem CID55342989
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H25N3O4S/c1-30-22-12-11-17(31(28,29)26-14-4-2-3-5-15-26)16-19(22)23(27)25-21-10-6-9-20-18(21)8-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)
InChIKeyIISSBTQFSOGMSR-UHFFFAOYSA-N
XLogP4.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide (CID 55342989) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide?
The InChIKey is IISSBTQFSOGMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-22-12-11-17(31(28,29)26-14-4-2-3-5-15-26)16-19(22)23(27)25-21-10-6-9-20-18(21)8-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.06, 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-quinolin-5-ylbenzamide is sourced from PubChem (CID 55342989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).