3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide

C20H25N3O3S — CID 51193124

IUPAC3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccnc1
InChIInChI=1S/C20H25N3O3S/c1-16(18-9-7-11-21-15-18)22-20(24)17-8-6-10-19(14-17)27(25,26)23-12-4-2-3-5-13-23/h6-11,14-16H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyZEOBUGZZELMWHV-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.14
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide

3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 51193124) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID51193124
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccnc1
InChIInChI=1S/C20H25N3O3S/c1-16(18-9-7-11-21-15-18)22-20(24)17-8-6-10-19(14-17)27(25,26)23-12-4-2-3-5-13-23/h6-11,14-16H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyZEOBUGZZELMWHV-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
3-(azepan-1-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190863
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7936606
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 92547331

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide (CID 51193124) is 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccnc1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is ZEOBUGZZELMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(18-9-7-11-21-15-18)22-20(24)17-8-6-10-19(14-17)27(25,26)23-12-4-2-3-5-13-23/h6-11,14-16H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 51193124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).