2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide

C25H28N2O4S — CID 30210898

IUPAC2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-8-12-22(13-9-19)31-17-16-26-25(28)18-27(24-7-5-4-6-21(24)3)32(29,30)23-14-10-20(2)11-15-23/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyHUUXZTHREFIARV-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.00
Rot. Bonds9

About 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 30210898) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID30210898
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-8-12-22(13-9-19)31-17-16-26-25(28)18-27(24-7-5-4-6-21(24)3)32(29,30)23-14-10-20(2)11-15-23/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyHUUXZTHREFIARV-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30199719
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30216424
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211535
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211247
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30215340
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30210904
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 30213285
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 30210898) is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is HUUXZTHREFIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-8-12-22(13-9-19)31-17-16-26-25(28)18-27(24-7-5-4-6-21(24)3)32(29,30)23-14-10-20(2)11-15-23/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 30210898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).