2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide

C27H32N2O5S — CID 30215078

IUPAC2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O5S/c1-4-34-25-15-11-23(12-16-25)29(35(31,32)26-17-7-21(2)8-18-26)20-27(30)28-19-5-6-22-9-13-24(33-3)14-10-22/h7-18H,4-6,19-20H2,1-3H3,(H,28,30)
InChIKeyUHMZHIXXHVTXTN-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.35
Rot. Bonds12

About 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30215078) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
PubChem CID30215078
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O5S/c1-4-34-25-15-11-23(12-16-25)29(35(31,32)26-17-7-21(2)8-18-26)20-27(30)28-19-5-6-22-9-13-24(33-3)14-10-22/h7-18H,4-6,19-20H2,1-3H3,(H,28,30)
InChIKeyUHMZHIXXHVTXTN-UHFFFAOYSA-N
XLogP4.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3737355
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30212800
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30215393
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3584895
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30250363
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
N-(4-butylphenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126270925

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide (CID 30215078) is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide is CCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is UHMZHIXXHVTXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-4-34-25-15-11-23(12-16-25)29(35(31,32)26-17-7-21(2)8-18-26)20-27(30)28-19-5-6-22-9-13-24(33-3)14-10-22/h7-18H,4-6,19-20H2,1-3H3,(H,28,30).
What are the key properties of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 496.63 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30215078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).