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

C14H19ClN2O3S — CID 71787235

IUPACN-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(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)
InChIKeyHUALUJZFVPHIHZ-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.19
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (PubChem CID 71787235) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
PubChem CID71787235
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(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)
InChIKeyHUALUJZFVPHIHZ-UHFFFAOYSA-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

2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 3916833
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
CID 24818026
2-({2-[(4-Chlorobenzyl)amino]-2-oxoethyl}sulfanyl)acetic acid
CID 2763893
2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2997507
N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 16552638
N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide
CID 2113275
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 3904308
(2R)-2-acetamido-3-[(4-chlorophenyl)methylcarbamoylsulfanyl]propanoic acid
CID 53321317
(S)-1-{[(p-fluorophenyl)methyl]carbamoylcarbonylamino}-2-methyl-4-(methylthio)-2-butanol
CID 95984493
N'-[(4-chlorophenyl)methyl]oxamide
CID 2248082
N-allyl-N'-(4-chlorobenzyl)ethanediamide
CID 2058081
N1-(4-chlorobenzyl)-N2-methyloxalamide
CID 21212869

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (CID 71787235) is N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is CSCC(C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The InChIKey is HUALUJZFVPHIHZ-UHFFFAOYSA-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).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(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'-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is sourced from PubChem (CID 71787235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).