(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C23H32N2O4S — CID 125077302

IUPAC(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-14-9-10-22(29-7)21(11-14)25(30(8,27)28)19(6)23(26)24-18(5)20-13-16(3)15(2)12-17(20)4/h9-13,18-19H,1-8H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyAHGSWWPJRYMMDR-RBUKOAKNSA-N
MW432.59 g/mol
LogP3.96
Rot. Bonds7

About (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 125077302) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID125077302
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-14-9-10-22(29-7)21(11-14)25(30(8,27)28)19(6)23(26)24-18(5)20-13-16(3)15(2)12-17(20)4/h9-13,18-19H,1-8H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyAHGSWWPJRYMMDR-RBUKOAKNSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125086719
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 125054340
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663186
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125082559
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 125082582
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673940
(2S)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 125044290
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133162977
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 125044271
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 43886596
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 125077302) is (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is AHGSWWPJRYMMDR-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-14-9-10-22(29-7)21(11-14)25(30(8,27)28)19(6)23(26)24-18(5)20-13-16(3)15(2)12-17(20)4/h9-13,18-19H,1-8H3,(H,24,26)/t18-,19+/m0/s1.
What are the key properties of (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 125077302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).