3-(N-methylanilino)-2-phenylpropanethioamide

C16H18N2S — CID 64538135

IUPAC3-(N-methylanilino)-2-phenylpropanethioamide
SMILESCN(CC(C(N)=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-18(14-10-6-3-7-11-14)12-15(16(17)19)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,19)
InChIKeyOFSXPGCTTSWVNM-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.19
Rot. Bonds5

About 3-(N-methylanilino)-2-phenylpropanethioamide

3-(N-methylanilino)-2-phenylpropanethioamide (PubChem CID 64538135) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(N-methylanilino)-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-(N-methylanilino)-2-phenylpropanethioamide
PubChem CID64538135
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name3-(N-methylanilino)-2-phenylpropanethioamide
SMILESCN(CC(C(N)=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-18(14-10-6-3-7-11-14)12-15(16(17)19)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,19)
InChIKeyOFSXPGCTTSWVNM-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-2-phenylpropanethioamide?
The IUPAC name of 3-(N-methylanilino)-2-phenylpropanethioamide (CID 64538135) is 3-(N-methylanilino)-2-phenylpropanethioamide.
What is the SMILES notation for 3-(N-methylanilino)-2-phenylpropanethioamide?
The canonical SMILES for 3-(N-methylanilino)-2-phenylpropanethioamide is CN(CC(C(N)=S)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)-2-phenylpropanethioamide?
The InChIKey is OFSXPGCTTSWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-18(14-10-6-3-7-11-14)12-15(16(17)19)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,19).
What are the key properties of 3-(N-methylanilino)-2-phenylpropanethioamide?
3-(N-methylanilino)-2-phenylpropanethioamide has a molecular weight of 270.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-2-phenylpropanethioamide is sourced from PubChem (CID 64538135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).