N-(4-methoxyphenyl)-2-oxopropanethioamide

C10H11NO2S — CID 15191748

IUPACN-(4-methoxyphenyl)-2-oxopropanethioamide
SMILESCOc1ccc(NC(=S)C(C)=O)cc1
InChIInChI=1S/C10H11NO2S/c1-7(12)10(14)11-8-3-5-9(13-2)6-4-8/h3-6H,1-2H3,(H,11,14)
InChIKeyLCVFOSFCNOCTAD-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.02
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxopropanethioamide

N-(4-methoxyphenyl)-2-oxopropanethioamide (PubChem CID 15191748) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxopropanethioamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxopropanethioamide
PubChem CID15191748
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-(4-methoxyphenyl)-2-oxopropanethioamide
SMILESCOc1ccc(NC(=S)C(C)=O)cc1
InChIInChI=1S/C10H11NO2S/c1-7(12)10(14)11-8-3-5-9(13-2)6-4-8/h3-6H,1-2H3,(H,11,14)
InChIKeyLCVFOSFCNOCTAD-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide
CID 138969517
1-(2-acetylphenyl)-3-(4-methoxyphenyl)thiourea
CID 4848252
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
(2S)-2-fluoro-N-(4-methoxyphenyl)-3-oxobutanamide
CID 125485818
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
CID 3763474

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxopropanethioamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxopropanethioamide (CID 15191748) is N-(4-methoxyphenyl)-2-oxopropanethioamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxopropanethioamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxopropanethioamide is COc1ccc(NC(=S)C(C)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxopropanethioamide?
The InChIKey is LCVFOSFCNOCTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7(12)10(14)11-8-3-5-9(13-2)6-4-8/h3-6H,1-2H3,(H,11,14).
What are the key properties of N-(4-methoxyphenyl)-2-oxopropanethioamide?
N-(4-methoxyphenyl)-2-oxopropanethioamide has a molecular weight of 209.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxopropanethioamide is sourced from PubChem (CID 15191748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).