(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C24H27N3O3S — CID 125058066

IUPAC(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H27N3O3S/c1-17-13-18(2)15-23(14-17)27(31(4,29)30)19(3)24(28)26-22-7-5-20(6-8-22)16-21-9-11-25-12-10-21/h5-15,19H,16H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyTVNODKZNHAAMGP-LJQANCHMSA-N
MW437.57 g/mol
LogP4.08
Rot. Bonds7

About (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 125058066) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID125058066
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H27N3O3S/c1-17-13-18(2)15-23(14-17)27(31(4,29)30)19(3)24(28)26-22-7-5-20(6-8-22)16-21-9-11-25-12-10-21/h5-15,19H,16H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyTVNODKZNHAAMGP-LJQANCHMSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 3505121
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2229739
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502761
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99971315
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94854777
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 125075193
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 125058066) is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is TVNODKZNHAAMGP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-13-18(2)15-23(14-17)27(31(4,29)30)19(3)24(28)26-22-7-5-20(6-8-22)16-21-9-11-25-12-10-21/h5-15,19H,16H2,1-4H3,(H,26,28)/t19-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 437.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 125058066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).