N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide

C20H17NO4S — CID 51351573

IUPACN-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide
SMILESO=C1CCCC2=C1C(c1cccs1)C(NC(=O)c1ccccc1)C(=O)O2
InChIInChI=1S/C20H17NO4S/c22-13-8-4-9-14-16(13)17(15-10-5-11-26-15)18(20(24)25-14)21-19(23)12-6-2-1-3-7-12/h1-3,5-7,10-11,17-18H,4,8-9H2,(H,21,23)
InChIKeyHWXAZRIBNPYZCA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.19
Rot. Bonds3

About N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide

N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide (PubChem CID 51351573) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide
PubChem CID51351573
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC NameN-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide
SMILESO=C1CCCC2=C1C(c1cccs1)C(NC(=O)c1ccccc1)C(=O)O2
InChIInChI=1S/C20H17NO4S/c22-13-8-4-9-14-16(13)17(15-10-5-11-26-15)18(20(24)25-14)21-19(23)12-6-2-1-3-7-12/h1-3,5-7,10-11,17-18H,4,8-9H2,(H,21,23)
InChIKeyHWXAZRIBNPYZCA-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide?
The IUPAC name of N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide (CID 51351573) is N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide.
What is the SMILES notation for N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide?
The canonical SMILES for N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide is O=C1CCCC2=C1C(c1cccs1)C(NC(=O)c1ccccc1)C(=O)O2.
What is the InChIKey of N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide?
The InChIKey is HWXAZRIBNPYZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-13-8-4-9-14-16(13)17(15-10-5-11-26-15)18(20(24)25-14)21-19(23)12-6-2-1-3-7-12/h1-3,5-7,10-11,17-18H,4,8-9H2,(H,21,23).
What are the key properties of N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide?
N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-chromen-3-yl)benzamide is sourced from PubChem (CID 51351573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).