N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide

C20H24N2O4S — CID 2987928

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-2-3-8-14-22)15-18(19)21-20(23)16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,21,23)
InChIKeyWEORQKUXKZVEPE-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds5

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide (PubChem CID 2987928) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide
PubChem CID2987928
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-2-3-8-14-22)15-18(19)21-20(23)16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,21,23)
InChIKeyWEORQKUXKZVEPE-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide (CID 2987928) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide?
The InChIKey is WEORQKUXKZVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-2-3-8-14-22)15-18(19)21-20(23)16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,21,23).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 2987928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).