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

C19H23N3O4S — CID 18107118

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C19H23N3O4S/c1-26-17-10-9-15(27(24,25)22-12-6-2-3-7-13-22)14-16(17)19(23)21-18-8-4-5-11-20-18/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21,23)
InChIKeyXJXIVUNCJDXPQG-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.91
Rot. Bonds5

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

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 18107118) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide
PubChem CID18107118
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C19H23N3O4S/c1-26-17-10-9-15(27(24,25)22-12-6-2-3-7-13-22)14-16(17)19(23)21-18-8-4-5-11-20-18/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21,23)
InChIKeyXJXIVUNCJDXPQG-UHFFFAOYSA-N
XLogP2.91
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 787499
2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide
CID 131955124
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
rac-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[4-(5-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-methanone
CID 46839300
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
2-Methoxy-N-(6-pentanoylamino-pyridin-3-yl)-benzamide
CID 655705
2-methoxy-N-(4-methyl-2-pyridinyl)-4-methylsulfanylbenzamide
CID 2162207
4-methoxy-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3241872
3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 16320992
2-ethoxy-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18107041
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 24686491

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide (CID 18107118) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccn1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is XJXIVUNCJDXPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-10-9-15(27(24,25)22-12-6-2-3-7-13-22)14-16(17)19(23)21-18-8-4-5-11-20-18/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21,23).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.91, 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-pyridin-2-ylbenzamide is sourced from PubChem (CID 18107118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).