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

C27H32N2O4S — CID 30211848

IUPAC2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C27H32N2O4S/c1-20-10-13-25(14-11-20)34(31,32)29(26-15-12-21(2)17-22(26)3)19-27(30)28-16-6-8-23-7-5-9-24(18-23)33-4/h5,7,9-15,17-18H,6,8,16,19H2,1-4H3,(H,28,30)
InChIKeyMCUQZVDKJGSFGA-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.56
Rot. Bonds10

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

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30211848) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30211848
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C27H32N2O4S/c1-20-10-13-25(14-11-20)34(31,32)29(26-15-12-21(2)17-22(26)3)19-27(30)28-16-6-8-23-7-5-9-24(18-23)33-4/h5,7,9-15,17-18H,6,8,16,19H2,1-4H3,(H,28,30)
InChIKeyMCUQZVDKJGSFGA-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-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30218429
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30216577
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30213762
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113153832
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30204003
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 30170482
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30210281
2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132688009
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30211848) is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is MCUQZVDKJGSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-20-10-13-25(14-11-20)34(31,32)29(26-15-12-21(2)17-22(26)3)19-27(30)28-16-6-8-23-7-5-9-24(18-23)33-4/h5,7,9-15,17-18H,6,8,16,19H2,1-4H3,(H,28,30).
What are the key properties of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-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-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).