3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide

C24H27N3O4S — CID 38277942

IUPAC3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O4S/c1-17-9-11-20(19-8-7-13-25-23(17)19)26-24(28)18-10-12-21(31-2)22(16-18)32(29,30)27-14-5-3-4-6-15-27/h7-13,16H,3-6,14-15H2,1-2H3,(H,26,28)
InChIKeyPHDGQNAZLFKPFF-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.37
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide

3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38277942) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38277942
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O4S/c1-17-9-11-20(19-8-7-13-25-23(17)19)26-24(28)18-10-12-21(31-2)22(16-18)32(29,30)27-14-5-3-4-6-15-27/h7-13,16H,3-6,14-15H2,1-2H3,(H,26,28)
InChIKeyPHDGQNAZLFKPFF-UHFFFAOYSA-N
XLogP4.37
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35028668
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide (CID 38277942) is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is PHDGQNAZLFKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17-9-11-20(19-8-7-13-25-23(17)19)26-24(28)18-10-12-21(31-2)22(16-18)32(29,30)27-14-5-3-4-6-15-27/h7-13,16H,3-6,14-15H2,1-2H3,(H,26,28).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide?
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 4.37, 5 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-methoxy-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38277942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).