2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

C16H21N3O3S — CID 78814283

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)CC2CCS(=O)(=O)C2)nc2ccccc21
InChIInChI=1S/C16H21N3O3S/c1-2-8-19-14-6-4-3-5-13(14)17-16(19)18-15(20)10-12-7-9-23(21,22)11-12/h3-6,12H,2,7-11H2,1H3,(H,17,18,20)
InChIKeyFFAWDPXNGGOCFM-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.21
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (PubChem CID 78814283) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
PubChem CID78814283
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)CC2CCS(=O)(=O)C2)nc2ccccc21
InChIInChI=1S/C16H21N3O3S/c1-2-8-19-14-6-4-3-5-13(14)17-16(19)18-15(20)10-12-7-9-23(21,22)11-12/h3-6,12H,2,7-11H2,1H3,(H,17,18,20)
InChIKeyFFAWDPXNGGOCFM-UHFFFAOYSA-N
XLogP2.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)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

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 99961864
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 119770786
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-propylbenzimidazol-2-yl)acetamide
CID 40954141
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (CID 78814283) is 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is CCCn1c(NC(=O)CC2CCS(=O)(=O)C2)nc2ccccc21.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The InChIKey is FFAWDPXNGGOCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-8-19-14-6-4-3-5-13(14)17-16(19)18-15(20)10-12-7-9-23(21,22)11-12/h3-6,12H,2,7-11H2,1H3,(H,17,18,20).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 78814283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).