3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide

C26H30N2O3S — CID 123375699

IUPAC3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CCc2cccc(NCS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C26H30N2O3S/c1-20(2)18-27-26(29)23-10-6-8-21(16-23)14-15-22-9-7-11-24(17-22)28-19-32(30,31)25-12-4-3-5-13-25/h3-13,16-17,20,28H,14-15,18-19H2,1-2H3,(H,27,29)
InChIKeyRFAKZOOERQHBTC-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.70
Rot. Bonds10

About 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide

3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide (PubChem CID 123375699) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide
PubChem CID123375699
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CCc2cccc(NCS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C26H30N2O3S/c1-20(2)18-27-26(29)23-10-6-8-21(16-23)14-15-22-9-7-11-24(17-22)28-19-32(30,31)25-12-4-3-5-13-25/h3-13,16-17,20,28H,14-15,18-19H2,1-2H3,(H,27,29)
InChIKeyRFAKZOOERQHBTC-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
N-(3-amino-2-methylpropyl)-3-benzylsulfonylbenzamide
CID 119997939
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 55776645
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide (CID 123375699) is 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CCc2cccc(NCS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is RFAKZOOERQHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20(2)18-27-26(29)23-10-6-8-21(16-23)14-15-22-9-7-11-24(17-22)28-19-32(30,31)25-12-4-3-5-13-25/h3-13,16-17,20,28H,14-15,18-19H2,1-2H3,(H,27,29).
What are the key properties of 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide?
3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 450.60 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 123375699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).