2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

C25H28N2O4S — CID 43895616

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(c1ccccc1)c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-4-31-23-16-9-8-15-22(23)27(32(3,29)30)18-24(28)26-25(20-12-6-5-7-13-20)21-14-10-11-19(2)17-21/h5-17,25H,4,18H2,1-3H3,(H,26,28)
InChIKeyANDWSSQFBCCYJH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.07
Rot. Bonds9

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43895616) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID43895616
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(c1ccccc1)c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-4-31-23-16-9-8-15-22(23)27(32(3,29)30)18-24(28)26-25(20-12-6-5-7-13-20)21-14-10-11-19(2)17-21/h5-17,25H,4,18H2,1-3H3,(H,26,28)
InChIKeyANDWSSQFBCCYJH-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30384478
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
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
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897777
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896049
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897308

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 43895616) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is CCOc1ccccc1N(CC(=O)NC(c1ccccc1)c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is ANDWSSQFBCCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-31-23-16-9-8-15-22(23)27(32(3,29)30)18-24(28)26-25(20-12-6-5-7-13-20)21-14-10-11-19(2)17-21/h5-17,25H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.07, 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-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43895616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).