3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide

C13H10ClNO3S — CID 60773208

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H10ClNO3S/c14-12-5-4-11(19-12)10(16)7-18-9-3-1-2-8(6-9)13(15)17/h1-6H,7H2,(H2,15,17)
InChIKeyQYULNDZGOQZXAK-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.76
Rot. Bonds5

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide

3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide (PubChem CID 60773208) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide
PubChem CID60773208
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H10ClNO3S/c14-12-5-4-11(19-12)10(16)7-18-9-3-1-2-8(6-9)13(15)17/h1-6H,7H2,(H2,15,17)
InChIKeyQYULNDZGOQZXAK-UHFFFAOYSA-N
XLogP2.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-methoxybenzoate
CID 2097878
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964685
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 60625222
3-propoxybenzamide
CID 22311435
4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
CID 55350664
6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799668
3-[(Z)-2-methylpent-2-enoxy]benzamide
CID 156902473
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 2680051

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide (CID 60773208) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide?
The InChIKey is QYULNDZGOQZXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-12-5-4-11(19-12)10(16)7-18-9-3-1-2-8(6-9)13(15)17/h1-6H,7H2,(H2,15,17).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide has a molecular weight of 295.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 60773208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).