(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide

C13H17Cl2NO3S — CID 95281623

IUPAC(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C13H17Cl2NO3S/c1-8(16-13(17)9(2)20(3,18)19)6-10-4-5-11(14)7-12(10)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyNMVTWEXQSAKXBJ-IUCAKERBSA-N
MW338.26 g/mol
LogP2.47
Rot. Bonds5

About (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide

(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide (PubChem CID 95281623) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
PubChem CID95281623
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C13H17Cl2NO3S/c1-8(16-13(17)9(2)20(3,18)19)6-10-4-5-11(14)7-12(10)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyNMVTWEXQSAKXBJ-IUCAKERBSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
(2S)-N-[(2S)-1-(4-chlorophenyl)-3-methylbutan-2-yl]-2-methylsulfonylpropanamide
CID 97213225
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629500
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide (CID 95281623) is (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide is C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide?
The InChIKey is NMVTWEXQSAKXBJ-IUCAKERBSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-8(16-13(17)9(2)20(3,18)19)6-10-4-5-11(14)7-12(10)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide?
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide has a molecular weight of 338.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 95281623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).