3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide

C17H20N2O3S — CID 36701806

IUPAC3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-2-23(21,22)19-16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13,19H,2,11-12H2,1H3,(H,18,20)
InChIKeyWBKJYIDDPWGOJS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.42
Rot. Bonds7

About 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide

3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide (PubChem CID 36701806) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
PubChem CID36701806
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-2-23(21,22)19-16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13,19H,2,11-12H2,1H3,(H,18,20)
InChIKeyWBKJYIDDPWGOJS-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 24672518
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
(2S)-4-[3-(ethylsulfonylamino)benzoyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 100786086
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 55751801
3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502452
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide (CID 36701806) is 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide is CCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is WBKJYIDDPWGOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-23(21,22)19-16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13,19H,2,11-12H2,1H3,(H,18,20).
What are the key properties of 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide?
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 36701806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).