2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

C20H26N2O3S — CID 2962930

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-12-16(2)14-19(13-15)22(26(4,24)25)17(3)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-14,17H,10-11H2,1-4H3,(H,21,23)
InChIKeyGIRHQPXCDGVDIO-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.82
Rot. Bonds7

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (PubChem CID 2962930) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
PubChem CID2962930
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-12-16(2)14-19(13-15)22(26(4,24)25)17(3)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-14,17H,10-11H2,1-4H3,(H,21,23)
InChIKeyGIRHQPXCDGVDIO-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 132662116
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 93486515
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132674576
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]propanamide
CID 28569731
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (CID 2962930) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is Cc1cc(C)cc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is GIRHQPXCDGVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-12-16(2)14-19(13-15)22(26(4,24)25)17(3)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-14,17H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 2962930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).