N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide

C15H19N3O2S — CID 29268617

IUPACN-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=S)c1ccc(NC(=O)CCCN2CCCC2=O)cc1
InChIInChI=1S/C15H19N3O2S/c16-15(21)11-5-7-12(8-6-11)17-13(19)3-1-9-18-10-2-4-14(18)20/h5-8H,1-4,9-10H2,(H2,16,21)(H,17,19)
InChIKeyRFTXETGFQVOILF-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.66
Rot. Bonds6

About N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide

N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 29268617) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID29268617
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=S)c1ccc(NC(=O)CCCN2CCCC2=O)cc1
InChIInChI=1S/C15H19N3O2S/c16-15(21)11-5-7-12(8-6-11)17-13(19)3-1-9-18-10-2-4-14(18)20/h5-8H,1-4,9-10H2,(H2,16,21)(H,17,19)
InChIKeyRFTXETGFQVOILF-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide 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-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836
N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24698981
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
CID 82032013
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131909097
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
2-[4-[4-(4-carbamimidoylanilino)-4-oxobutyl]-2,3-dioxopiperazin-1-yl]acetic acid
CID 22122237

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide (CID 29268617) is N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide is NC(=S)c1ccc(NC(=O)CCCN2CCCC2=O)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is RFTXETGFQVOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-15(21)11-5-7-12(8-6-11)17-13(19)3-1-9-18-10-2-4-14(18)20/h5-8H,1-4,9-10H2,(H2,16,21)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide?
N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 305.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 29268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).