2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide

C19H22N2O3S2 — CID 9483076

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSc1ccccc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O3S2/c1-21(26(23,24)15-12-17-8-4-2-5-9-17)16-19(22)20-13-14-25-18-10-6-3-7-11-18/h2-12,15H,13-14,16H2,1H3,(H,20,22)/b15-12+
InChIKeyQMTIKTXGNLNSJX-NTCAYCPXSA-N
MW390.53 g/mol
LogP2.83
Rot. Bonds9

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 9483076) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID9483076
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSc1ccccc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O3S2/c1-21(26(23,24)15-12-17-8-4-2-5-9-17)16-19(22)20-13-14-25-18-10-6-3-7-11-18/h2-12,15H,13-14,16H2,1H3,(H,20,22)/b15-12+
InChIKeyQMTIKTXGNLNSJX-NTCAYCPXSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.83
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

N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483045
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278853
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
CID 9205651
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4179982
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2261372
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide (CID 9483076) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide is CN(CC(=O)NCCSc1ccccc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is QMTIKTXGNLNSJX-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-21(26(23,24)15-12-17-8-4-2-5-9-17)16-19(22)20-13-14-25-18-10-6-3-7-11-18/h2-12,15H,13-14,16H2,1H3,(H,20,22)/b15-12+.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 9483076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).