2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

C21H28N2O5S — CID 99950083

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-27-18-13-11-17(12-14-18)16(3)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyJACGVFBGYVXSIS-MRXNPFEDSA-N
MW420.53 g/mol
LogP3.13
Rot. Bonds10

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 99950083) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID99950083
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-27-18-13-11-17(12-14-18)16(3)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyJACGVFBGYVXSIS-MRXNPFEDSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 92674141
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 7318338
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563293
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 46770349
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30203381
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 43875579
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (CID 99950083) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is JACGVFBGYVXSIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-27-18-13-11-17(12-14-18)16(3)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 420.53 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 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 99950083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).