2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C27H32N2O5S — CID 30214829

IUPAC2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O5S/c1-5-33-26-12-7-6-11-25(26)29(35(31,32)24-15-13-21(4)14-16-24)19-27(30)28-18-22-9-8-10-23(17-22)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyQYLPHDFJXLHQED-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.69
Rot. Bonds11

About 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30214829) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID30214829
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O5S/c1-5-33-26-12-7-6-11-25(26)29(35(31,32)24-15-13-21(4)14-16-24)19-27(30)28-18-22-9-8-10-23(17-22)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyQYLPHDFJXLHQED-UHFFFAOYSA-N
XLogP4.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100764195
N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30306995
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306359
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30175478
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53280090
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30212679
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30228554
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202889
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894075

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 30214829) is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is CCOc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is QYLPHDFJXLHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-5-33-26-12-7-6-11-25(26)29(35(31,32)24-15-13-21(4)14-16-24)19-27(30)28-18-22-9-8-10-23(17-22)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30).
What are the key properties of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 496.63 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30214829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).