N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide

C17H19N3OS — CID 19678469

IUPACN-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
SMILESCCc1ccccc1NC(=S)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H19N3OS/c1-3-13-7-4-5-10-16(13)20-17(22)19-15-9-6-8-14(11-15)18-12(2)21/h4-11H,3H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyUVJYODLRBZRXSR-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.02
Rot. Bonds4

About N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide

N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide (PubChem CID 19678469) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
PubChem CID19678469
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
SMILESCCc1ccccc1NC(=S)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H19N3OS/c1-3-13-7-4-5-10-16(13)20-17(22)19-15-9-6-8-14(11-15)18-12(2)21/h4-11H,3H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyUVJYODLRBZRXSR-UHFFFAOYSA-N
XLogP4.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.02
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

1,3-bis(2-ethylphenyl)thiourea
CID 3034485
ethyl 3-[(2-ethylphenyl)carbamothioylamino]benzoate
CID 17265637
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142024
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909
N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
CID 163304121
2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628422

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide (CID 19678469) is N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide is CCc1ccccc1NC(=S)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide?
The InChIKey is UVJYODLRBZRXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-13-7-4-5-10-16(13)20-17(22)19-15-9-6-8-14(11-15)18-12(2)21/h4-11H,3H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide?
N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 19678469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).