2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide

C26H30N2O5S — CID 22304013

IUPAC2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNc1cc(C)cc(C)c1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O5S/c1-6-19-9-7-8-10-21(19)28-25(29)16-27-22-14-17(2)13-18(3)26(22)34(30,31)20-11-12-23(32-4)24(15-20)33-5/h7-15,27H,6,16H2,1-5H3,(H,28,29)
InChIKeyVWTCPLGXJDBIJP-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.77
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide (PubChem CID 22304013) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide
PubChem CID22304013
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNc1cc(C)cc(C)c1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O5S/c1-6-19-9-7-8-10-21(19)28-25(29)16-27-22-14-17(2)13-18(3)26(22)34(30,31)20-11-12-23(32-4)24(15-20)33-5/h7-15,27H,6,16H2,1-5H3,(H,28,29)
InChIKeyVWTCPLGXJDBIJP-UHFFFAOYSA-N
XLogP4.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 22304785
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
N-(3,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 44999448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide (CID 22304013) is 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNc1cc(C)cc(C)c1S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide?
The InChIKey is VWTCPLGXJDBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-6-19-9-7-8-10-21(19)28-25(29)16-27-22-14-17(2)13-18(3)26(22)34(30,31)20-11-12-23(32-4)24(15-20)33-5/h7-15,27H,6,16H2,1-5H3,(H,28,29).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 22304013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).