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

C21H28N2O5S — CID 30220437

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-27-19-12-8-18(9-13-19)23(29(4,25)26)14-21(24)22-17(3)15-28-20-10-6-16(2)7-11-20/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyXPRVTSXEDJVPCV-KRWDZBQOSA-N
MW420.53 g/mol
LogP2.74
Rot. Bonds10

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

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 30220437) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID30220437
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-27-19-12-8-18(9-13-19)23(29(4,25)26)14-21(24)22-17(3)15-28-20-10-6-16(2)7-11-20/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyXPRVTSXEDJVPCV-KRWDZBQOSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
2-(4-iodo-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897350
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895852
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895296
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897008
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43899355

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide (CID 30220437) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide is CCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is XPRVTSXEDJVPCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-27-19-12-8-18(9-13-19)23(29(4,25)26)14-21(24)22-17(3)15-28-20-10-6-16(2)7-11-20/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 30220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).