N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide

C18H21N3OS — CID 8628429

IUPACN-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1ccccc1C
InChIInChI=1S/C18H21N3OS/c1-3-14-9-5-7-11-16(14)20-17(22)12-19-18(23)21-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyMQXVZCIELOACGY-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.48
Rot. Bonds5

About N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide

N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide (PubChem CID 8628429) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
PubChem CID8628429
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1ccccc1C
InChIInChI=1S/C18H21N3OS/c1-3-14-9-5-7-11-16(14)20-17(22)12-19-18(23)21-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyMQXVZCIELOACGY-UHFFFAOYSA-N
XLogP3.48
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.48
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

2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628442
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
methyl 4-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]butanoate
CID 9094963
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628422
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide (CID 8628429) is N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide is CCc1ccccc1NC(=O)CNC(=S)Nc1ccccc1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide?
The InChIKey is MQXVZCIELOACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-14-9-5-7-11-16(14)20-17(22)12-19-18(23)21-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide?
N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide is sourced from PubChem (CID 8628429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).