3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide

C13H15N3O2S — CID 43568522

IUPAC3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESNC(=S)c1cccc(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H15N3O2S/c14-12(19)8-2-1-3-9(6-8)13(18)15-7-11(17)16-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,14,19)(H,15,18)(H,16,17)
InChIKeyOZYZBRPTGJGMKW-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.33
Rot. Bonds5

About 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide

3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide (PubChem CID 43568522) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
PubChem CID43568522
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESNC(=S)c1cccc(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H15N3O2S/c14-12(19)8-2-1-3-9(6-8)13(18)15-7-11(17)16-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,14,19)(H,15,18)(H,16,17)
InChIKeyOZYZBRPTGJGMKW-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide 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

3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
3-carbamothioyl-N-(2,2-dimethylpropyl)benzamide
CID 61167657
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide (CID 43568522) is 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide is NC(=S)c1cccc(C(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The InChIKey is OZYZBRPTGJGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-12(19)8-2-1-3-9(6-8)13(18)15-7-11(17)16-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,14,19)(H,15,18)(H,16,17).
What are the key properties of 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43568522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).