(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C19H24N2O4S — CID 1131201

IUPAC(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-10-14(2)12-16(11-13)20-19(22)15(3)21(26(5,23)24)17-6-8-18(25-4)9-7-17/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyLTHKGMUVMRRDLB-OAHLLOKOSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds6

About (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 1131201) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID1131201
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-10-14(2)12-16(11-13)20-19(22)15(3)21(26(5,23)24)17-6-8-18(25-4)9-7-17/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyLTHKGMUVMRRDLB-OAHLLOKOSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2899883
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94854777
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1297089
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
(2S)-N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998674
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 1131201) is (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is LTHKGMUVMRRDLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-10-14(2)12-16(11-13)20-19(22)15(3)21(26(5,23)24)17-6-8-18(25-4)9-7-17/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 1131201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).