4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

C16H18ClNO3S — CID 110007380

IUPAC4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H18ClNO3S/c1-3-21-13-9-11(17)6-7-12(13)15(19)18-10-16(2,20)14-5-4-8-22-14/h4-9,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyPJHVGIAQEQXUDJ-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.44
Rot. Bonds6

About 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (PubChem CID 110007380) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
PubChem CID110007380
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H18ClNO3S/c1-3-21-13-9-11(17)6-7-12(13)15(19)18-10-16(2,20)14-5-4-8-22-14/h4-9,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyPJHVGIAQEQXUDJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
CID 111441820
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4,5-dimethoxy-2-nitrobenzamide
CID 90499855
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 111442055
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (CID 110007380) is 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is CCOc1cc(Cl)ccc1C(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is PJHVGIAQEQXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-21-13-9-11(17)6-7-12(13)15(19)18-10-16(2,20)14-5-4-8-22-14/h4-9,20H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 339.84 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 110007380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).