ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate

C26H24N2O6S — CID 68570245

IUPACethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate
SMILESCCOC(=O)Oc1cncc2c(COc3cc(NC(=O)c4cccc(OC)c4)ccc3C)csc12
InChIInChI=1S/C26H24N2O6S/c1-4-32-26(30)34-23-13-27-12-21-18(15-35-24(21)23)14-33-22-11-19(9-8-16(22)2)28-25(29)17-6-5-7-20(10-17)31-3/h5-13,15H,4,14H2,1-3H3,(H,28,29)
InChIKeyQIMVWXBTOAICKG-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.98
Rot. Bonds8

About ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate

ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate (PubChem CID 68570245) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate.

Molecular Properties

Compound Nameethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate
PubChem CID68570245
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Nameethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate
SMILESCCOC(=O)Oc1cncc2c(COc3cc(NC(=O)c4cccc(OC)c4)ccc3C)csc12
InChIInChI=1S/C26H24N2O6S/c1-4-32-26(30)34-23-13-27-12-21-18(15-35-24(21)23)14-33-22-11-19(9-8-16(22)2)28-25(29)17-6-5-7-20(10-17)31-3/h5-13,15H,4,14H2,1-3H3,(H,28,29)
InChIKeyQIMVWXBTOAICKG-UHFFFAOYSA-N
XLogP5.98
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate with MolForge

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Related Compounds

[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
CID 126662764
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948

Frequently Asked Questions

What is the IUPAC name of ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate?
The IUPAC name of ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate (CID 68570245) is ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate.
What is the SMILES notation for ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate?
The canonical SMILES for ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate is CCOC(=O)Oc1cncc2c(COc3cc(NC(=O)c4cccc(OC)c4)ccc3C)csc12.
What is the InChIKey of ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate?
The InChIKey is QIMVWXBTOAICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-4-32-26(30)34-23-13-27-12-21-18(15-35-24(21)23)14-33-22-11-19(9-8-16(22)2)28-25(29)17-6-5-7-20(10-17)31-3/h5-13,15H,4,14H2,1-3H3,(H,28,29).
What are the key properties of ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate?
ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate has a molecular weight of 492.55 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate is sourced from PubChem (CID 68570245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).