N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide

C13H19ClN2O3S — CID 95503016

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
SMILESC[C@H](NC(=O)CCN(C)S(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-10(11-6-4-5-7-12(11)14)15-13(17)8-9-16(2)20(3,18)19/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyYTRCEISYFUBYLG-JTQLQIEISA-N
MW318.83 g/mol
LogP1.80
Rot. Bonds6

About N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide (PubChem CID 95503016) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
PubChem CID95503016
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
SMILESC[C@H](NC(=O)CCN(C)S(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-10(11-6-4-5-7-12(11)14)15-13(17)8-9-16(2)20(3,18)19/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyYTRCEISYFUBYLG-JTQLQIEISA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide (CID 95503016) is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide is C[C@H](NC(=O)CCN(C)S(C)(=O)=O)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide?
The InChIKey is YTRCEISYFUBYLG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-10(11-6-4-5-7-12(11)14)15-13(17)8-9-16(2)20(3,18)19/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide has a molecular weight of 318.83 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 95503016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).