2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide

C27H32N2O4S — CID 30212432

IUPAC2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O4S/c1-20-11-13-25(14-12-20)34(31,32)29(24-17-21(2)16-22(3)18-24)19-27(30)28-15-7-9-23-8-5-6-10-26(23)33-4/h5-6,8,10-14,16-18H,7,9,15,19H2,1-4H3,(H,28,30)
InChIKeyJXIGEUOAWSMOLU-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.56
Rot. Bonds10

About 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide (PubChem CID 30212432) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
PubChem CID30212432
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O4S/c1-20-11-13-25(14-12-20)34(31,32)29(24-17-21(2)16-22(3)18-24)19-27(30)28-15-7-9-23-8-5-6-10-26(23)33-4/h5-6,8,10-14,16-18H,7,9,15,19H2,1-4H3,(H,28,30)
InChIKeyJXIGEUOAWSMOLU-UHFFFAOYSA-N
XLogP4.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.56
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-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 43896911
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209474
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209081
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3683181
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide (CID 30212432) is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide is COc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The InChIKey is JXIGEUOAWSMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-20-11-13-25(14-12-20)34(31,32)29(24-17-21(2)16-22(3)18-24)19-27(30)28-15-7-9-23-8-5-6-10-26(23)33-4/h5-6,8,10-14,16-18H,7,9,15,19H2,1-4H3,(H,28,30).
What are the key properties of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30212432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).