2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C18H23N3OS2 — CID 71903136

IUPAC2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=S)NCc2cccs2)c(C)c1
InChIInChI=1S/C18H23N3OS2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)19-10-15-6-5-7-24-15/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyXSGYEHYOOCHDFR-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.62
Rot. Bonds5

About 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 71903136) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID71903136
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=S)NCc2cccs2)c(C)c1
InChIInChI=1S/C18H23N3OS2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)19-10-15-6-5-7-24-15/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyXSGYEHYOOCHDFR-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 11957258
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
N,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31523361
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 27784209
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 75415342
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622156
methyl N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]carbamate
CID 75415569
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 71903136) is 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=S)NCc2cccs2)c(C)c1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XSGYEHYOOCHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)19-10-15-6-5-7-24-15/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 361.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethylcarbamothioyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 71903136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).