N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

C14H19ClN2O4S — CID 90523224

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)(O)CSC
InChIInChI=1S/C14H19ClN2O4S/c1-14(20,8-22-3)7-16-12(18)13(19)17-10-6-9(15)4-5-11(10)21-2/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLSMSHZVWJGBYCQ-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.52
Rot. Bonds6

About N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (PubChem CID 90523224) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
PubChem CID90523224
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)(O)CSC
InChIInChI=1S/C14H19ClN2O4S/c1-14(20,8-22-3)7-16-12(18)13(19)17-10-6-9(15)4-5-11(10)21-2/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLSMSHZVWJGBYCQ-UHFFFAOYSA-N
XLogP1.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95984505
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (CID 90523224) is N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)(O)CSC.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The InChIKey is LSMSHZVWJGBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-14(20,8-22-3)7-16-12(18)13(19)17-10-6-9(15)4-5-11(10)21-2/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide has a molecular weight of 346.84 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is sourced from PubChem (CID 90523224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).