N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide

C11H14ClNO2S — CID 75500808

IUPACN-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyAXUKYYXMRCNQRH-UHFFFAOYSA-N
MW259.76 g/mol
LogP3.13
Rot. Bonds5

About N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide

N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide (PubChem CID 75500808) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide
PubChem CID75500808
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyAXUKYYXMRCNQRH-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
5-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-2-hydroxybenzoic acid
CID 43353116
N-(3-amino-4-chlorophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659554
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide (CID 75500808) is N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide is CCSCCC(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide?
The InChIKey is AXUKYYXMRCNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide?
N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide has a molecular weight of 259.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-3-ethylsulfanylpropanamide is sourced from PubChem (CID 75500808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).