(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide

C25H28N2O4S — CID 40785964

IUPAC(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-16-6-11-22(12-7-16)31-20(5)25(28)26-21-10-9-18(3)24(15-21)32(29,30)27-23-13-8-17(2)14-19(23)4/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m0/s1
InChIKeyWKOXYIKIELUZSJ-FQEVSTJZSA-N
MW452.58 g/mol
LogP5.13
Rot. Bonds7

About (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide

(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 40785964) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
PubChem CID40785964
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-16-6-11-22(12-7-16)31-20(5)25(28)26-21-10-9-18(3)24(15-21)32(29,30)27-23-13-8-17(2)14-19(23)4/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m0/s1
InChIKeyWKOXYIKIELUZSJ-FQEVSTJZSA-N
XLogP5.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 84929872
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide (CID 40785964) is (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is WKOXYIKIELUZSJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-16-6-11-22(12-7-16)31-20(5)25(28)26-21-10-9-18(3)24(15-21)32(29,30)27-23-13-8-17(2)14-19(23)4/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 452.58 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 40785964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).