N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide

C14H19ClN2O3S — CID 95984213

IUPACN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
SMILESCSC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyHUALUJZFVPHIHZ-AWEZNQCLSA-N
MW330.84 g/mol
LogP1.19
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide

N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide (PubChem CID 95984213) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
PubChem CID95984213
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
SMILESCSC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyHUALUJZFVPHIHZ-AWEZNQCLSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.19
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

N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438054
N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523224
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984215
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
CID 111975796
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
1-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247300
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide (CID 95984213) is N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide is CSC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
The InChIKey is HUALUJZFVPHIHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide has a molecular weight of 330.84 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide is sourced from PubChem (CID 95984213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).