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

C16H16ClNO3S2 — CID 2944957

IUPAC4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)16(19)18(10-15-2-1-8-22-15)14-7-9-23(20,21)11-14/h1-6,8,14H,7,9-11H2
InChIKeyXHFHCXFXISBJEL-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.23
Rot. Bonds4

About 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2944957) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2944957
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)16(19)18(10-15-2-1-8-22-15)14-7-9-23(20,21)11-14/h1-6,8,14H,7,9-11H2
InChIKeyXHFHCXFXISBJEL-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 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 2944957) is 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XHFHCXFXISBJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)16(19)18(10-15-2-1-8-22-15)14-7-9-23(20,21)11-14/h1-6,8,14H,7,9-11H2.
What are the key properties of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-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 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2944957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).