N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide

C20H21NO5S2 — CID 121170123

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)c(OC)c1OC
InChIInChI=1S/C20H21NO5S2/c1-24-15-7-6-14(17(25-2)18(15)26-3)19(22)21-12-20(23,13-8-10-27-11-13)16-5-4-9-28-16/h4-11,23H,12H2,1-3H3,(H,21,22)
InChIKeyZMPLMXCELGSEAB-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.50
Rot. Bonds8

About N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide (PubChem CID 121170123) has the molecular formula C20H21NO5S2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
PubChem CID121170123
Molecular FormulaC20H21NO5S2
Molecular Weight419.52 g/mol
Exact Mass419.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)c(OC)c1OC
InChIInChI=1S/C20H21NO5S2/c1-24-15-7-6-14(17(25-2)18(15)26-3)19(22)21-12-20(23,13-8-10-27-11-13)16-5-4-9-28-16/h4-11,23H,12H2,1-3H3,(H,21,22)
InChIKeyZMPLMXCELGSEAB-UHFFFAOYSA-N
XLogP3.50
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 121170131
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-3-nitrobenzamide
CID 121170079
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124877781

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide (CID 121170123) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)c(OC)c1OC.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide?
The InChIKey is ZMPLMXCELGSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S2/c1-24-15-7-6-14(17(25-2)18(15)26-3)19(22)21-12-20(23,13-8-10-27-11-13)16-5-4-9-28-16/h4-11,23H,12H2,1-3H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide has a molecular weight of 419.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 121170123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).