N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide

C19H23NO4S2 — CID 665548

IUPACN-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO4S2/c1-2-10-24-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-25-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3
InChIKeyIBZSUUIMIYXDKC-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.37
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 665548) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID665548
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO4S2/c1-2-10-24-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-25-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3
InChIKeyIBZSUUIMIYXDKC-UHFFFAOYSA-N
XLogP3.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)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

Sultopride
CID 5357
AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
CID 16095384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7986833
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 662623
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 665645
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide (CID 665548) is N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide is CCCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is IBZSUUIMIYXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-2-10-24-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-25-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 665548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).