N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide

C18H25N3O3S2 — CID 18128955

IUPACN-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nc2ccccc2n1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H25N3O3S2/c1-3-10-21(14-9-11-26(23,24)13-14)17(22)12-25-18-19-15-7-5-6-8-16(15)20(18)4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAASUNODDMSBVIL-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.57
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide (PubChem CID 18128955) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
PubChem CID18128955
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nc2ccccc2n1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H25N3O3S2/c1-3-10-21(14-9-11-26(23,24)13-14)17(22)12-25-18-19-15-7-5-6-8-16(15)20(18)4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAASUNODDMSBVIL-UHFFFAOYSA-N
XLogP2.57
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide (CID 18128955) is N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1nc2ccccc2n1CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The InChIKey is AASUNODDMSBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-3-10-21(14-9-11-26(23,24)13-14)17(22)12-25-18-19-15-7-5-6-8-16(15)20(18)4-2/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide has a molecular weight of 395.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 18128955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).