(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

C21H28N2O4S — CID 28631757

IUPAC(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-15-11-12-16(2)19(13-15)23(28(6,25)26)17(3)21(24)22(4)14-18-9-7-8-10-20(18)27-5/h7-13,17H,14H2,1-6H3/t17-/m1/s1
InChIKeyKSXFHKMFZRHREZ-QGZVFWFLSA-N
MW404.53 g/mol
LogP3.13
Rot. Bonds7

About (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 28631757) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID28631757
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-15-11-12-16(2)19(13-15)23(28(6,25)26)17(3)21(24)22(4)14-18-9-7-8-10-20(18)27-5/h7-13,17H,14H2,1-6H3/t17-/m1/s1
InChIKeyKSXFHKMFZRHREZ-QGZVFWFLSA-N
XLogP3.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide 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-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 43886338
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 125054340
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 43905161
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46771152
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 46769313
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (CID 28631757) is (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is KSXFHKMFZRHREZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15-11-12-16(2)19(13-15)23(28(6,25)26)17(3)21(24)22(4)14-18-9-7-8-10-20(18)27-5/h7-13,17H,14H2,1-6H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 404.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 28631757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).