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

C22H30N2O5S — CID 125042287

IUPAC(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-6-28-20-13-11-19(12-14-20)24(30(5,26)27)18(4)22(25)23-17(3)15-29-21-10-8-7-9-16(21)2/h7-14,17-18H,6,15H2,1-5H3,(H,23,25)/t17-,18+/m1/s1
InChIKeyGFNUYRGHBSNUEH-MSOLQXFVSA-N
MW434.56 g/mol
LogP3.13
Rot. Bonds10

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

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide (PubChem CID 125042287) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
PubChem CID125042287
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-6-28-20-13-11-19(12-14-20)24(30(5,26)27)18(4)22(25)23-17(3)15-29-21-10-8-7-9-16(21)2/h7-14,17-18H,6,15H2,1-5H3,(H,23,25)/t17-,18+/m1/s1
InChIKeyGFNUYRGHBSNUEH-MSOLQXFVSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]butanamide
CID 125044173
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132663180
(2R)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 125044217
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125075203
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125075204
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132670545
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 125059427
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670203
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92671594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide (CID 125042287) is (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide is CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is GFNUYRGHBSNUEH-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-6-28-20-13-11-19(12-14-20)24(30(5,26)27)18(4)22(25)23-17(3)15-29-21-10-8-7-9-16(21)2/h7-14,17-18H,6,15H2,1-5H3,(H,23,25)/t17-,18+/m1/s1.
What are the key properties of (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide?
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 434.56 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 125042287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).