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

C16H16ClNO3S2 — CID 662244

IUPAC3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-4-1-3-12(9-13)16(19)18(10-15-5-2-7-22-15)14-6-8-23(20,21)11-14/h1-5,7,9,14H,6,8,10-11H2
InChIKeyMKMJZARPLQWDBB-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.23
Rot. Bonds4

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

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 662244) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID662244
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-4-1-3-12(9-13)16(19)18(10-15-5-2-7-22-15)14-6-8-23(20,21)11-14/h1-5,7,9,14H,6,8,10-11H2
InChIKeyMKMJZARPLQWDBB-UHFFFAOYSA-N
XLogP3.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 662244) is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(Cl)c1)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is MKMJZARPLQWDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c17-13-4-1-3-12(9-13)16(19)18(10-15-5-2-7-22-15)14-6-8-23(20,21)11-14/h1-5,7,9,14H,6,8,10-11H2.
What are the key properties of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 369.90 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 662244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).