N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide

C16H17N3OS — CID 870312

IUPACN-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3OS/c1-12(20)19(2)15-10-8-14(9-11-15)18-16(21)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18,21)
InChIKeyQAPRFSLXQIOSPR-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide

N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide (PubChem CID 870312) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide
PubChem CID870312
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3OS/c1-12(20)19(2)15-10-8-14(9-11-15)18-16(21)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18,21)
InChIKeyQAPRFSLXQIOSPR-UHFFFAOYSA-N
XLogP3.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889
N-[4-[(2,4-difluorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649158
N-[4-[(2,4-dichlorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649161
methyl 2-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 2211573
N-[4-(furan-2-ylmethylcarbamothioylamino)phenyl]-N-methylacetamide
CID 19649192
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926667
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936886
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1014380
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
N-[4-[acetyl(methyl)amino]phenyl]-2-(1-phenylethylamino)acetamide
CID 54814802
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121074

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide (CID 870312) is N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide is CC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide?
The InChIKey is QAPRFSLXQIOSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12(20)19(2)15-10-8-14(9-11-15)18-16(21)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18,21).
What are the key properties of N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide?
N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide is sourced from PubChem (CID 870312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).