2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide

C21H28N2O4S — CID 30242468

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCCc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-18-10-12-19(13-11-18)23(28(4,25)26)14-21(24)22-17(3)15-27-20-9-7-6-8-16(20)2/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyAGQVHYJWMVXSRJ-QGZVFWFLSA-N
MW404.53 g/mol
LogP2.91
Rot. Bonds9

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 30242468) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID30242468
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCCc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-18-10-12-19(13-11-18)23(28(4,25)26)14-21(24)22-17(3)15-27-20-9-7-6-8-16(20)2/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyAGQVHYJWMVXSRJ-QGZVFWFLSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30253081
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897919
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895429
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 43901342
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43898522

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (CID 30242468) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is CCc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is AGQVHYJWMVXSRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-18-10-12-19(13-11-18)23(28(4,25)26)14-21(24)22-17(3)15-27-20-9-7-6-8-16(20)2/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 30242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).