N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide

C17H21NO5S — CID 90499845

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H21NO5S/c1-17(20,14-6-5-7-24-14)10-18-16(19)11-8-12(21-2)15(23-4)13(9-11)22-3/h5-9,20H,10H2,1-4H3,(H,18,19)
InChIKeyRCPLRFBINQWKSW-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.41
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide (PubChem CID 90499845) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
PubChem CID90499845
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H21NO5S/c1-17(20,14-6-5-7-24-14)10-18-16(19)11-8-12(21-2)15(23-4)13(9-11)22-3/h5-9,20H,10H2,1-4H3,(H,18,19)
InChIKeyRCPLRFBINQWKSW-UHFFFAOYSA-N
XLogP2.41
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90499860
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
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
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 90499784
4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 110007380
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide (CID 90499845) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide?
The InChIKey is RCPLRFBINQWKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-17(20,14-6-5-7-24-14)10-18-16(19)11-8-12(21-2)15(23-4)13(9-11)22-3/h5-9,20H,10H2,1-4H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide has a molecular weight of 351.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 90499845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).