N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C23H24N2O4S2 — CID 30275443

IUPACN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S2/c1-3-30-22-16-10-7-13-19(22)24-23(26)17-25(31(2,27)28)20-14-8-9-15-21(20)29-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyRWNBGOJMDLBIOU-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.00
Rot. Bonds9

About N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 30275443) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID30275443
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S2/c1-3-30-22-16-10-7-13-19(22)24-23(26)17-25(31(2,27)28)20-14-8-9-15-21(20)29-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyRWNBGOJMDLBIOU-UHFFFAOYSA-N
XLogP5.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30275465
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 30275443) is N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CCSc1ccccc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is RWNBGOJMDLBIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-3-30-22-16-10-7-13-19(22)24-23(26)17-25(31(2,27)28)20-14-8-9-15-21(20)29-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 456.59 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 30275443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).