N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C24H25ClN2O4S2 — CID 30223775

IUPACN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCSc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S2/c1-33(29,30)27(20-10-12-22(13-11-20)31-21-6-3-2-4-7-21)18-24(28)26-16-5-17-32-23-14-8-19(25)9-15-23/h2-4,6-15H,5,16-18H2,1H3,(H,26,28)
InChIKeyYLNIDQJZGQMFNQ-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.20
Rot. Bonds11

About N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 30223775) has the molecular formula C24H25ClN2O4S2 and a molecular weight of 505.06 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID30223775
Molecular FormulaC24H25ClN2O4S2
Molecular Weight505.06 g/mol
Exact Mass504.09
IUPAC NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCSc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S2/c1-33(29,30)27(20-10-12-22(13-11-20)31-21-6-3-2-4-7-21)18-24(28)26-16-5-17-32-23-14-8-19(25)9-15-23/h2-4,6-15H,5,16-18H2,1H3,(H,26,28)
InChIKeyYLNIDQJZGQMFNQ-UHFFFAOYSA-N
XLogP5.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30248258
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217353
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30245911
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221096
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30253967
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30222610
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220878
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219444
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30253980
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 51342980

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 30223775) is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)NCCCSc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is YLNIDQJZGQMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S2/c1-33(29,30)27(20-10-12-22(13-11-20)31-21-6-3-2-4-7-21)18-24(28)26-16-5-17-32-23-14-8-19(25)9-15-23/h2-4,6-15H,5,16-18H2,1H3,(H,26,28).
What are the key properties of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 505.06 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 30223775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).