2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide

C19H23N3OS — CID 8628442

IUPAC2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23N3OS/c1-4-15-7-5-6-8-16(15)21-18(23)12-20-19(24)22-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyHPWAWEQCTOONJY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.79
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide

2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 8628442) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
PubChem CID8628442
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23N3OS/c1-4-15-7-5-6-8-16(15)21-18(23)12-20-19(24)22-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyHPWAWEQCTOONJY-UHFFFAOYSA-N
XLogP3.79
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
CID 8628429
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
methyl 4-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]butanoate
CID 9094963
N-(2,5-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004454
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
2-[(2,5-dimethylphenyl)methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 22300215
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide (CID 8628442) is 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=S)Nc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is HPWAWEQCTOONJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-4-15-7-5-6-8-16(15)21-18(23)12-20-19(24)22-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide?
2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8628442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).