N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

C19H23NO4S2 — CID 2988747

IUPACN-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)N(Cc1sccc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO4S2/c1-3-24-17-7-5-4-6-16(17)19(21)20(12-18-14(2)8-10-25-18)15-9-11-26(22,23)13-15/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyCAISLGVMCCYBBT-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.28
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 2988747) 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-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID2988747
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)N(Cc1sccc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO4S2/c1-3-24-17-7-5-4-6-16(17)19(21)20(12-18-14(2)8-10-25-18)15-9-11-26(22,23)13-15/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyCAISLGVMCCYBBT-UHFFFAOYSA-N
XLogP3.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 2988747) is N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is CCOc1ccccc1C(=O)N(Cc1sccc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is CAISLGVMCCYBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-3-24-17-7-5-4-6-16(17)19(21)20(12-18-14(2)8-10-25-18)15-9-11-26(22,23)13-15/h4-8,10,15H,3,9,11-13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.28, 6 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-ethoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 2988747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).