4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide

C20H24ClNO3S — CID 16549738

IUPAC4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNO3S/c1-3-24-16-9-12-19(25-4-2)18(14-16)22-20(23)6-5-13-26-17-10-7-15(21)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyJZXDMPVTNJNAFE-UHFFFAOYSA-N
MW393.94 g/mol
LogP5.65
Rot. Bonds10

About 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide (PubChem CID 16549738) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
PubChem CID16549738
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNO3S/c1-3-24-16-9-12-19(25-4-2)18(14-16)22-20(23)6-5-13-26-17-10-7-15(21)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyJZXDMPVTNJNAFE-UHFFFAOYSA-N
XLogP5.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.94
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide (CID 16549738) is 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide is CCOc1ccc(OCC)c(NC(=O)CCCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide?
The InChIKey is JZXDMPVTNJNAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-3-24-16-9-12-19(25-4-2)18(14-16)22-20(23)6-5-13-26-17-10-7-15(21)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide has a molecular weight of 393.94 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide is sourced from PubChem (CID 16549738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).