N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide

C14H21N3OS — CID 8675613

IUPACN-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
SMILESCCCNC(=S)NCC(=O)Nc1ccccc1CC
InChIInChI=1S/C14H21N3OS/c1-3-9-15-14(19)16-10-13(18)17-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBFHBENDESRKGEX-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.06
Rot. Bonds6

About N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide

N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide (PubChem CID 8675613) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
PubChem CID8675613
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
SMILESCCCNC(=S)NCC(=O)Nc1ccccc1CC
InChIInChI=1S/C14H21N3OS/c1-3-9-15-14(19)16-10-13(18)17-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBFHBENDESRKGEX-UHFFFAOYSA-N
XLogP2.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethylphenyl)-2-(propylcarbamothioylamino)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

methyl 4-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]butanoate
CID 9094963
N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
CID 8628429
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628442
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 9490918
2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628422
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134030305

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide (CID 8675613) is N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide is CCCNC(=S)NCC(=O)Nc1ccccc1CC.
What is the InChIKey of N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide?
The InChIKey is BFHBENDESRKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-9-15-14(19)16-10-13(18)17-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide?
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide has a molecular weight of 279.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide is sourced from PubChem (CID 8675613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).