6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide

C18H20ClNO2S — CID 129189699

IUPAC6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
SMILESO=C(CCCCCSc1cccc(Cl)c1)Nc1cccc(O)c1
InChIInChI=1S/C18H20ClNO2S/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)20-15-7-5-8-16(21)13-15/h4-9,12-13,21H,1-3,10-11H2,(H,20,22)
InChIKeyMZYOIQKWDFZHEM-UHFFFAOYSA-N
MW349.88 g/mol
LogP5.34
Rot. Bonds8

About 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide

6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide (PubChem CID 129189699) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
PubChem CID129189699
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
SMILESO=C(CCCCCSc1cccc(Cl)c1)Nc1cccc(O)c1
InChIInChI=1S/C18H20ClNO2S/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)20-15-7-5-8-16(21)13-15/h4-9,12-13,21H,1-3,10-11H2,(H,20,22)
InChIKeyMZYOIQKWDFZHEM-UHFFFAOYSA-N
XLogP5.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.88
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
CID 129189700
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
4-(2-chlorophenyl)sulfanylbutanoic acid;4-(3-chlorophenyl)sulfanylbutanoic acid;4-(4-chlorophenyl)sulfanylbutanoic acid;6-(3-chlorophenyl)sulfanylhexanoic acid;8-(2-chlorophenyl)sulfanyloctanoic acid;8-(4-chlorophenyl)sulfanyloctanoic acid;6-(4-hydroxyphenyl)sulfanylhexanoic acid
CID 162135825
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114
ethyl 4-(3-chlorophenyl)sulfanylbutanoate
CID 117058890
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
N-[2-(3-chlorophenyl)sulfanylethyl]formamide
CID 91574653

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide (CID 129189699) is 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide is O=C(CCCCCSc1cccc(Cl)c1)Nc1cccc(O)c1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide?
The InChIKey is MZYOIQKWDFZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)20-15-7-5-8-16(21)13-15/h4-9,12-13,21H,1-3,10-11H2,(H,20,22).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide?
6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide has a molecular weight of 349.88 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide is sourced from PubChem (CID 129189699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).