2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C18H19ClN2O3S2 — CID 78665804

IUPAC2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S2/c1-21(13-18(22)20-16-5-3-4-6-17(16)25-2)26(23,24)12-11-14-7-9-15(19)10-8-14/h3-12H,13H2,1-2H3,(H,20,22)
InChIKeyDLBNJLJMJQKRBM-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 78665804) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID78665804
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC Name2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S2/c1-21(13-18(22)20-16-5-3-4-6-17(16)25-2)26(23,24)12-11-14-7-9-15(19)10-8-14/h3-12H,13H2,1-2H3,(H,20,22)
InChIKeyDLBNJLJMJQKRBM-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 17466670
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 51144379
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 126392772
2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 78665804) is 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DLBNJLJMJQKRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c1-21(13-18(22)20-16-5-3-4-6-17(16)25-2)26(23,24)12-11-14-7-9-15(19)10-8-14/h3-12H,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 410.95 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 78665804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).