N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

C18H22N2O3S2 — CID 653351

IUPACN-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-4-19-18(21)13-20(15-7-5-14(2)6-8-15)25(22,23)17-11-9-16(24-3)10-12-17/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyUKXSUOUPBLUONA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.05
Rot. Bonds7

About N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (PubChem CID 653351) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
PubChem CID653351
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-4-19-18(21)13-20(15-7-5-14(2)6-8-15)25(22,23)17-11-9-16(24-3)10-12-17/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyUKXSUOUPBLUONA-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (CID 653351) is N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The InChIKey is UKXSUOUPBLUONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-4-19-18(21)13-20(15-7-5-14(2)6-8-15)25(22,23)17-11-9-16(24-3)10-12-17/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 653351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).