N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C15H15ClN2O2S — CID 99634092

IUPACN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-20-13(10-5-2-3-7-12(10)16)9-18-14(19)11-6-4-8-17-15(11)21/h2-8,13H,9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyLVUMPCYTKYYQEV-CYBMUJFWSA-N
MW322.82 g/mol
LogP3.52
Rot. Bonds5

About N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 99634092) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID99634092
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-20-13(10-5-2-3-7-12(10)16)9-18-14(19)11-6-4-8-17-15(11)21/h2-8,13H,9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyLVUMPCYTKYYQEV-CYBMUJFWSA-N
XLogP3.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[(2R)-2-phenylsulfanylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 96567887
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598769
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 99634092) is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is CO[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is LVUMPCYTKYYQEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-20-13(10-5-2-3-7-12(10)16)9-18-14(19)11-6-4-8-17-15(11)21/h2-8,13H,9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 99634092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).