N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide

C14H17N3O2S — CID 24698981

IUPACN-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESNC(=S)c1ccccc1NC(=O)CCN1CCCC1=O
InChIInChI=1S/C14H17N3O2S/c15-14(20)10-4-1-2-5-11(10)16-12(18)7-9-17-8-3-6-13(17)19/h1-2,4-5H,3,6-9H2,(H2,15,20)(H,16,18)
InChIKeyGYEBJNVMOWPGFK-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.27
Rot. Bonds5

About N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide

N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 24698981) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID24698981
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESNC(=S)c1ccccc1NC(=O)CCN1CCCC1=O
InChIInChI=1S/C14H17N3O2S/c15-14(20)10-4-1-2-5-11(10)16-12(18)7-9-17-8-3-6-13(17)19/h1-2,4-5H,3,6-9H2,(H2,15,20)(H,16,18)
InChIKeyGYEBJNVMOWPGFK-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide 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-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 61434163
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29268617
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
N-(2-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24705607

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide (CID 24698981) is N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide is NC(=S)c1ccccc1NC(=O)CCN1CCCC1=O.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is GYEBJNVMOWPGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14(20)10-4-1-2-5-11(10)16-12(18)7-9-17-8-3-6-13(17)19/h1-2,4-5H,3,6-9H2,(H2,15,20)(H,16,18).
What are the key properties of N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24698981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).