N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide

C19H23ClN2O5S — CID 123123418

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide
SMILESCCCOc1c[nH]c(CS(=O)C(C)C(=O)Nc2cc(Cl)ccc2OC)cc1=O
InChIInChI=1S/C19H23ClN2O5S/c1-4-7-27-18-10-21-14(9-16(18)23)11-28(25)12(2)19(24)22-15-8-13(20)5-6-17(15)26-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUVFKHMSSRYDCOX-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.10
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide

N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide (PubChem CID 123123418) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide
PubChem CID123123418
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide
SMILESCCCOc1c[nH]c(CS(=O)C(C)C(=O)Nc2cc(Cl)ccc2OC)cc1=O
InChIInChI=1S/C19H23ClN2O5S/c1-4-7-27-18-10-21-14(9-16(18)23)11-28(25)12(2)19(24)22-15-8-13(20)5-6-17(15)26-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUVFKHMSSRYDCOX-UHFFFAOYSA-N
XLogP3.10
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123362
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate
CID 41291652
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide (CID 123123418) is N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide is CCCOc1c[nH]c(CS(=O)C(C)C(=O)Nc2cc(Cl)ccc2OC)cc1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide?
The InChIKey is UVFKHMSSRYDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-4-7-27-18-10-21-14(9-16(18)23)11-28(25)12(2)19(24)22-15-8-13(20)5-6-17(15)26-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide?
N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 123123418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).