(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide

C22H30N2O5S — CID 125044271

IUPAC(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O5S/c1-15-7-10-19(11-8-15)29-14-17(3)23-22(25)18(4)24(30(6,26)27)20-13-16(2)9-12-21(20)28-5/h7-13,17-18H,14H2,1-6H3,(H,23,25)/t17-,18+/m1/s1
InChIKeySZGGJJRUTXODJI-MSOLQXFVSA-N
MW434.56 g/mol
LogP3.05
Rot. Bonds9

About (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide

(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide (PubChem CID 125044271) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
PubChem CID125044271
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O5S/c1-15-7-10-19(11-8-15)29-14-17(3)23-22(25)18(4)24(30(6,26)27)20-13-16(2)9-12-21(20)28-5/h7-13,17-18H,14H2,1-6H3,(H,23,25)/t17-,18+/m1/s1
InChIKeySZGGJJRUTXODJI-MSOLQXFVSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 132670159
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125077302
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125071295
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125082559
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663186
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 125044204
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 132669624
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673940
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide (CID 125044271) is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide is COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is SZGGJJRUTXODJI-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-15-7-10-19(11-8-15)29-14-17(3)23-22(25)18(4)24(30(6,26)27)20-13-16(2)9-12-21(20)28-5/h7-13,17-18H,14H2,1-6H3,(H,23,25)/t17-,18+/m1/s1.
What are the key properties of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide?
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 434.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 125044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).