3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide

C18H21ClN2O2S — CID 86855668

IUPAC3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCCCCn1ccccc1=O
InChIInChI=1S/C18H21ClN2O2S/c19-15-6-8-16(9-7-15)24-14-10-17(22)20-11-2-4-13-21-12-3-1-5-18(21)23/h1,3,5-9,12H,2,4,10-11,13-14H2,(H,20,22)
InChIKeyHNOODDJZDINWTQ-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.58
Rot. Bonds9

About 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide (PubChem CID 86855668) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
PubChem CID86855668
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCCCCn1ccccc1=O
InChIInChI=1S/C18H21ClN2O2S/c19-15-6-8-16(9-7-15)24-14-10-17(22)20-11-2-4-13-21-12-3-1-5-18(21)23/h1,3,5-9,12H,2,4,10-11,13-14H2,(H,20,22)
InChIKeyHNOODDJZDINWTQ-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.58
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-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
CID 86855573
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449
3-(4-chlorophenyl)sulfanyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]propanamide
CID 126035220
N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 119072889
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide (CID 86855668) is 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide is O=C(CCSc1ccc(Cl)cc1)NCCCCn1ccccc1=O.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide?
The InChIKey is HNOODDJZDINWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c19-15-6-8-16(9-7-15)24-14-10-17(22)20-11-2-4-13-21-12-3-1-5-18(21)23/h1,3,5-9,12H,2,4,10-11,13-14H2,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide has a molecular weight of 364.90 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide is sourced from PubChem (CID 86855668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).