2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide

C27H24N2O4S2 — CID 21372798

IUPAC2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O4S2/c1-35(31,32)29(21-16-18-23(19-17-21)33-22-10-4-2-5-11-22)20-27(30)28-25-14-8-9-15-26(25)34-24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,28,30)
InChIKeyRJECBUAVCHRTKC-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.03
Rot. Bonds9

About 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide

2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 21372798) has the molecular formula C27H24N2O4S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID21372798
Molecular FormulaC27H24N2O4S2
Molecular Weight504.63 g/mol
Exact Mass504.12
IUPAC Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O4S2/c1-35(31,32)29(21-16-18-23(19-17-21)33-22-10-4-2-5-11-22)20-27(30)28-25-14-8-9-15-26(25)34-24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,28,30)
InChIKeyRJECBUAVCHRTKC-UHFFFAOYSA-N
XLogP6.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1105792
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 2224672
N-(3-chloro-2-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1352948
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30275465
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
CID 1262151

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide (CID 21372798) is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is RJECBUAVCHRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S2/c1-35(31,32)29(21-16-18-23(19-17-21)33-22-10-4-2-5-11-22)20-27(30)28-25-14-8-9-15-26(25)34-24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide?
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 504.63 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 21372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).