2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C21H28N2O4S — CID 28573016

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-5-18(17-13-11-16(3)12-14-17)22-21(24)15-23(28(4,25)26)19-9-7-8-10-20(19)27-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyDSKRGKLEGMUZPY-GOSISDBHSA-N
MW404.53 g/mol
LogP3.43
Rot. Bonds9

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 28573016) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID28573016
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-5-18(17-13-11-16(3)12-14-17)22-21(24)15-23(28(4,25)26)19-9-7-8-10-20(19)27-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyDSKRGKLEGMUZPY-GOSISDBHSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30384478
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
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
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43895616
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 28573016) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is DSKRGKLEGMUZPY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-18(17-13-11-16(3)12-14-17)22-21(24)15-23(28(4,25)26)19-9-7-8-10-20(19)27-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 28573016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).