2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide

C14H21N3OS — CID 8676937

IUPAC2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCNC(=S)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N3OS/c1-5-15-14(19)16-8-12(18)17-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyBIGUPHGLDOYCNS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.03
Rot. Bonds4

About 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide

2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8676937) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8676937
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCNC(=S)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N3OS/c1-5-15-14(19)16-8-12(18)17-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyBIGUPHGLDOYCNS-UHFFFAOYSA-N
XLogP2.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930832
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
1-(2-methylprop-2-enyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 4664118
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
2-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]sulfanylacetic acid
CID 120770556

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide (CID 8676937) is 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide is CCNC(=S)NCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BIGUPHGLDOYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-15-14(19)16-8-12(18)17-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 279.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8676937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).