3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

C19H24N2O3S — CID 3476149

IUPAC3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-21(2)18(16-9-5-3-6-10-16)15-20-19(22)13-14-25(23,24)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,20,22)
InChIKeySUMDIJSMVIPOGS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.27
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (PubChem CID 3476149) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
PubChem CID3476149
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-21(2)18(16-9-5-3-6-10-16)15-20-19(22)13-14-25(23,24)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,20,22)
InChIKeySUMDIJSMVIPOGS-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (CID 3476149) is 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide is CN(C)C(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The InChIKey is SUMDIJSMVIPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(2)18(16-9-5-3-6-10-16)15-20-19(22)13-14-25(23,24)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide is sourced from PubChem (CID 3476149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).