N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide

C14H19ClN2O3S — CID 95984215

IUPACN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
SMILESCSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H19ClN2O3S/c1-9-10(15)5-4-6-11(9)17-13(19)12(18)16-7-14(2,20)8-21-3/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyBEVPCXQZZFUDDA-CQSZACIVSA-N
MW330.84 g/mol
LogP1.82
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide (PubChem CID 95984215) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
PubChem CID95984215
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
SMILESCSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H19ClN2O3S/c1-9-10(15)5-4-6-11(9)17-13(19)12(18)16-7-14(2,20)8-21-3/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyBEVPCXQZZFUDDA-CQSZACIVSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437548
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523224
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-(3-chloro-2-methylphenyl)oxamide
CID 99980679
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984213
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide (CID 95984215) is N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide is CSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The InChIKey is BEVPCXQZZFUDDA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-10(15)5-4-6-11(9)17-13(19)12(18)16-7-14(2,20)8-21-3/h4-6,20H,7-8H2,1-3H3,(H,16,18)(H,17,19)/t14-/m1/s1.
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide has a molecular weight of 330.84 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide is sourced from PubChem (CID 95984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).