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

C16H17NO3S2 — CID 664074

IUPACN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2
InChIKeyLCKKXPPMKDFICM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.58
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 664074) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID664074
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2
InChIKeyLCKKXPPMKDFICM-UHFFFAOYSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 664074) is N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LCKKXPPMKDFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).