5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide

C21H26N2O4S — CID 7946811

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C21H26N2O4S/c1-16-9-5-6-10-19(16)22-21(24)18-15-17(11-12-20(18)27-2)28(25,26)23-13-7-3-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyHFGJMPFTYNONTO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.82
Rot. Bonds5

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

5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 7946811) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
PubChem CID7946811
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C21H26N2O4S/c1-16-9-5-6-10-19(16)22-21(24)18-15-17(11-12-20(18)27-2)28(25,26)23-13-7-3-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyHFGJMPFTYNONTO-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 39753370
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide
CID 55342989
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide (CID 7946811) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is HFGJMPFTYNONTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-9-5-6-10-19(16)22-21(24)18-15-17(11-12-20(18)27-2)28(25,26)23-13-7-3-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 7946811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).