(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide

C12H17NO3S — CID 94090675

IUPAC(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
SMILESCCS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H17NO3S/c1-4-17(15,16)10(3)12(14)13-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyMOJPBPVZHXUZQZ-JTQLQIEISA-N
MW255.34 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide

(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide (PubChem CID 94090675) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
PubChem CID94090675
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
SMILESCCS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H17NO3S/c1-4-17(15,16)10(3)12(14)13-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyMOJPBPVZHXUZQZ-JTQLQIEISA-N
XLogP1.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-(3-bromophenyl)-2-[(4-methylphenyl)methylsulfonyl]propanamide
CID 86926198
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide (CID 94090675) is (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide is CCS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide?
The InChIKey is MOJPBPVZHXUZQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-17(15,16)10(3)12(14)13-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide?
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 94090675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).