N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide

C28H24Cl2N2O3S2 — CID 43899050

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C28H24Cl2N2O3S2/c1-20-5-4-6-24(17-20)32(37(34,35)25-15-13-23(30)14-16-25)18-28(33)31-26-7-2-3-8-27(26)36-19-21-9-11-22(29)12-10-21/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyFZAITQXPISIVTB-UHFFFAOYSA-N
MW571.55 g/mol
LogP7.43
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide (PubChem CID 43899050) has the molecular formula C28H24Cl2N2O3S2 and a molecular weight of 571.55 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide
PubChem CID43899050
Molecular FormulaC28H24Cl2N2O3S2
Molecular Weight571.55 g/mol
Exact Mass570.06
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C28H24Cl2N2O3S2/c1-20-5-4-6-24(17-20)32(37(34,35)25-15-13-23(30)14-16-25)18-28(33)31-26-7-2-3-8-27(26)36-19-21-9-11-22(29)12-10-21/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyFZAITQXPISIVTB-UHFFFAOYSA-N
XLogP7.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894578
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894222
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43893066
N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892948
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897680
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894634
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892463
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43896921
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892860
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126412634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide (CID 43899050) is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide?
The InChIKey is FZAITQXPISIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O3S2/c1-20-5-4-6-24(17-20)32(37(34,35)25-15-13-23(30)14-16-25)18-28(33)31-26-7-2-3-8-27(26)36-19-21-9-11-22(29)12-10-21/h2-17H,18-19H2,1H3,(H,31,33).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide has a molecular weight of 571.55 g/mol, XLogP of 7.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide is sourced from PubChem (CID 43899050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).