N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C26H24N2O5S — CID 55785516

IUPACN-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCc2csc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O5S/c1-31-21-9-5-4-8-20(21)28-25(29)15-33-22-12-11-17(13-23(22)32-2)26(30)27-14-18-16-34-24-10-6-3-7-19(18)24/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJZIQAXVXZZSDCH-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.87
Rot. Bonds9

About N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 55785516) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID55785516
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCc2csc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O5S/c1-31-21-9-5-4-8-20(21)28-25(29)15-33-22-12-11-17(13-23(22)32-2)26(30)27-14-18-16-34-24-10-6-3-7-19(18)24/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJZIQAXVXZZSDCH-UHFFFAOYSA-N
XLogP4.87
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
N-[2-[2-(1-benzothiophen-3-ylmethyl)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90062100
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 2418372
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55777976
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 51966640
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 55785516) is N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2csc3ccccc23)cc1OC.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is JZIQAXVXZZSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-31-21-9-5-4-8-20(21)28-25(29)15-33-22-12-11-17(13-23(22)32-2)26(30)27-14-18-16-34-24-10-6-3-7-19(18)24/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55785516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).