N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C15H15ClN2O3S — CID 53369146

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NCCSc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H15ClN2O3S/c1-21-14-9-18-12(8-13(14)19)15(20)17-6-7-22-11-4-2-10(16)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKXMPQIJCSSJTTL-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 53369146) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID53369146
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NCCSc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H15ClN2O3S/c1-21-14-9-18-12(8-13(14)19)15(20)17-6-7-22-11-4-2-10(16)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKXMPQIJCSSJTTL-UHFFFAOYSA-N
XLogP2.56
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]-1H-pyrrole-2-carboxamide
CID 27884058
N-[2-(4-chlorophenyl)sulfanylethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39943500
N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 52901858
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)urea
CID 27871847
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254446
methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitrobenzoate
CID 9258815
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8872357
N-(4-acetamidophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376477
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2176452
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 53369146) is N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NCCSc2ccc(Cl)cc2)cc1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is KXMPQIJCSSJTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-21-14-9-18-12(8-13(14)19)15(20)17-6-7-22-11-4-2-10(16)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 53369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).