N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide

C16H14ClNO3S2 — CID 3241297

IUPACN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H14ClNO3S2/c17-12-3-5-13(6-4-12)18(14-7-9-23(20,21)11-14)16(19)10-15-2-1-8-22-15/h1-9,14H,10-11H2
InChIKeyKBWAIOYXZVWNBF-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 3241297) has the molecular formula C16H14ClNO3S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide
PubChem CID3241297
Molecular FormulaC16H14ClNO3S2
Molecular Weight367.88 g/mol
Exact Mass367.01
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H14ClNO3S2/c17-12-3-5-13(6-4-12)18(14-7-9-23(20,21)11-14)16(19)10-15-2-1-8-22-15/h1-9,14H,10-11H2
InChIKeyKBWAIOYXZVWNBF-UHFFFAOYSA-N
XLogP3.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide (CID 3241297) is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KBWAIOYXZVWNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S2/c17-12-3-5-13(6-4-12)18(14-7-9-23(20,21)11-14)16(19)10-15-2-1-8-22-15/h1-9,14H,10-11H2.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide?
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 367.88 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3241297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).