(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide

C14H14ClN3O2S — CID 96532922

IUPAC(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H14ClN3O2S/c1-9(21-11-5-3-10(20-2)4-6-11)14(19)16-13-8-7-12(15)17-18-13/h3-9H,1-2H3,(H,16,18,19)/t9-/m0/s1
InChIKeyRCVKLYUIGPIQMO-VIFPVBQESA-N
MW323.81 g/mol
LogP3.26
Rot. Bonds5

About (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 96532922) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID96532922
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H14ClN3O2S/c1-9(21-11-5-3-10(20-2)4-6-11)14(19)16-13-8-7-12(15)17-18-13/h3-9H,1-2H3,(H,16,18,19)/t9-/m0/s1
InChIKeyRCVKLYUIGPIQMO-VIFPVBQESA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
(2R)-2-(4-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 26028746
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide
CID 96532919
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28631658
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 95083634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 96532922) is (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is RCVKLYUIGPIQMO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9(21-11-5-3-10(20-2)4-6-11)14(19)16-13-8-7-12(15)17-18-13/h3-9H,1-2H3,(H,16,18,19)/t9-/m0/s1.
What are the key properties of (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 323.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 96532922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).