4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C25H28N2O4S2 — CID 28635128

IUPAC4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)23-16-14-22(32-4)15-17-23)21-12-10-19(11-13-21)25(28)26(2)18-20-8-6-7-9-24(20)31-3/h6-17H,5,18H2,1-4H3
InChIKeyRUCDCDMNSIOKNP-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.90
Rot. Bonds9

About 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 28635128) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID28635128
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)23-16-14-22(32-4)15-17-23)21-12-10-19(11-13-21)25(28)26(2)18-20-8-6-7-9-24(20)31-3/h6-17H,5,18H2,1-4H3
InChIKeyRUCDCDMNSIOKNP-UHFFFAOYSA-N
XLogP4.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2364863
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521
N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591623
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591591
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2584776
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 28591624
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 28635128) is 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is CCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is RUCDCDMNSIOKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)23-16-14-22(32-4)15-17-23)21-12-10-19(11-13-21)25(28)26(2)18-20-8-6-7-9-24(20)31-3/h6-17H,5,18H2,1-4H3.
What are the key properties of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 484.64 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 28635128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).