N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide

C25H24Cl2N2O2S — CID 18903175

IUPACN-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)c1
InChIInChI=1S/C25H24Cl2N2O2S/c1-2-3-15-22(30)28-18-11-7-12-19(16-18)32-24(17-9-5-4-6-10-17)25(31)29-21-14-8-13-20(26)23(21)27/h4-14,16,24H,2-3,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyZVWQSNXLWGIPRN-UHFFFAOYSA-N
MW487.45 g/mol
LogP7.59
Rot. Bonds9

About N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide

N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide (PubChem CID 18903175) has the molecular formula C25H24Cl2N2O2S and a molecular weight of 487.45 g/mol. Its IUPAC name is N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
PubChem CID18903175
Molecular FormulaC25H24Cl2N2O2S
Molecular Weight487.45 g/mol
Exact Mass486.09
IUPAC NameN-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)c1
InChIInChI=1S/C25H24Cl2N2O2S/c1-2-3-15-22(30)28-18-11-7-12-19(16-18)32-24(17-9-5-4-6-10-17)25(31)29-21-14-8-13-20(26)23(21)27/h4-14,16,24H,2-3,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyZVWQSNXLWGIPRN-UHFFFAOYSA-N
XLogP7.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903168
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903197
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901732
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903222
N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 23097051
N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729
N-[4-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23098739
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901782
N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906343
ethyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate
CID 18903193
N-[3-[2-(3-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901747
4-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897213

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide (CID 18903175) is N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?
The InChIKey is ZVWQSNXLWGIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2S/c1-2-3-15-22(30)28-18-11-7-12-19(16-18)32-24(17-9-5-4-6-10-17)25(31)29-21-14-8-13-20(26)23(21)27/h4-14,16,24H,2-3,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?
N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide has a molecular weight of 487.45 g/mol, XLogP of 7.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 18903175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).