N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide

C19H20Cl2N2O2S — CID 18901523

IUPACN-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O2S/c1-3-5-18(24)22-15-6-4-7-17(11-15)26-12(2)19(25)23-16-9-13(20)8-14(21)10-16/h4,6-12H,3,5H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOPPSLTFKBFBKPP-UHFFFAOYSA-N
MW411.35 g/mol
LogP5.85
Rot. Bonds7

About N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide

N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide (PubChem CID 18901523) has the molecular formula C19H20Cl2N2O2S and a molecular weight of 411.35 g/mol. Its IUPAC name is N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
PubChem CID18901523
Molecular FormulaC19H20Cl2N2O2S
Molecular Weight411.35 g/mol
Exact Mass410.06
IUPAC NameN-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O2S/c1-3-5-18(24)22-15-6-4-7-17(11-15)26-12(2)19(25)23-16-9-13(20)8-14(21)10-16/h4,6-12H,3,5H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOPPSLTFKBFBKPP-UHFFFAOYSA-N
XLogP5.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
CID 18912418
N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
4-chloro-3-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903001
4-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897042
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430
N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902675
4-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897003
2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-methylphenyl)butanamide
CID 18901661
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18902989
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The IUPAC name of N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide (CID 18901523) is N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The InChIKey is OPPSLTFKBFBKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S/c1-3-5-18(24)22-15-6-4-7-17(11-15)26-12(2)19(25)23-16-9-13(20)8-14(21)10-16/h4,6-12H,3,5H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide has a molecular weight of 411.35 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide is sourced from PubChem (CID 18901523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).