(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C19H24N2O4S — CID 55939174

IUPAC(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-5-6-16(14(2)11-13)12-20-19(22)15(3)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-11,15,21H,12H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMFNNZHYHUGRGID-HNNXBMFYSA-N
MW376.48 g/mol
LogP2.30
Rot. Bonds7

About (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 55939174) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID55939174
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-5-6-16(14(2)11-13)12-20-19(22)15(3)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-11,15,21H,12H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMFNNZHYHUGRGID-HNNXBMFYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
(2,5-dimethylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928256
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55950157
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 55939174) is (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2C)cc1.
What is the InChIKey of (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is MFNNZHYHUGRGID-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-5-6-16(14(2)11-13)12-20-19(22)15(3)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-11,15,21H,12H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55939174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).