(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide

C21H27NO3S — CID 97284820

IUPAC(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
SMILESCc1ccccc1[C@H](CC(=O)NCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C21H27NO3S/c1-16(2)26(24,25)14-13-22-21(23)15-20(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-12,16,20H,13-15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyZIBZREUEYUMAPK-HXUWFJFHSA-N
MW373.52 g/mol
LogP3.46
Rot. Bonds8

About (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide

(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide (PubChem CID 97284820) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
PubChem CID97284820
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
SMILESCc1ccccc1[C@H](CC(=O)NCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C21H27NO3S/c1-16(2)26(24,25)14-13-22-21(23)15-20(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-12,16,20H,13-15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyZIBZREUEYUMAPK-HXUWFJFHSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-methylphenyl)-3-phenyl-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97282614
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 97273006
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 72896575
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
3,3-diphenyl-N-propylpropanamide
CID 4638647
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
CID 72925472
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The IUPAC name of (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide (CID 97284820) is (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide.
What is the SMILES notation for (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The canonical SMILES for (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide is Cc1ccccc1[C@H](CC(=O)NCCS(=O)(=O)C(C)C)c1ccccc1.
What is the InChIKey of (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The InChIKey is ZIBZREUEYUMAPK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-16(2)26(24,25)14-13-22-21(23)15-20(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-12,16,20H,13-15H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide has a molecular weight of 373.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide is sourced from PubChem (CID 97284820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).