(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide

C19H24N2O3S — CID 28634282

IUPAC(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-10-12-17(13-11-14)15(2)20-19(22)16(3)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,15-16H,1-4H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyABCKRHZYMYMILM-JKSUJKDBSA-N
MW360.48 g/mol
LogP3.03
Rot. Bonds6

About (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide

(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 28634282) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID28634282
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-10-12-17(13-11-14)15(2)20-19(22)16(3)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,15-16H,1-4H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyABCKRHZYMYMILM-JKSUJKDBSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486888
(2R)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486883
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 92684693
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 94012957
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012958
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 92675455
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012175
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132658890
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823158
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 132656255

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide (CID 28634282) is (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide is Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is ABCKRHZYMYMILM-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-10-12-17(13-11-14)15(2)20-19(22)16(3)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,15-16H,1-4H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 28634282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).