methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

C19H23N2O5S+ — CID 7135997

IUPACmethyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CC[NH+](C)C2
InChIInChI=1S/C19H22N2O5S/c1-21-8-7-13-15(10-21)27-18(16(13)19(23)26-4)20-17(22)12-6-5-11(24-2)9-14(12)25-3/h5-6,9H,7-8,10H2,1-4H3,(H,20,22)/p+1
InChIKeyFCRGNLNCUIBUNB-UHFFFAOYSA-O
MW391.47 g/mol
LogP1.38
Rot. Bonds5

About methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate (PubChem CID 7135997) has the molecular formula C19H23N2O5S+ and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
PubChem CID7135997
Molecular FormulaC19H23N2O5S+
Molecular Weight391.47 g/mol
Exact Mass391.13
IUPAC Namemethyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CC[NH+](C)C2
InChIInChI=1S/C19H22N2O5S/c1-21-8-7-13-15(10-21)27-18(16(13)19(23)26-4)20-17(22)12-6-5-11(24-2)9-14(12)25-3/h5-6,9H,7-8,10H2,1-4H3,(H,20,22)/p+1
InChIKeyFCRGNLNCUIBUNB-UHFFFAOYSA-O
XLogP1.38
TPSA78.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(4-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7135881
methyl 2-[(2,6-dimethoxybenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136011
methyl 2-[(3,4-dimethoxybenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136001
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,4-dimethoxybenzamide
CID 5176968
methyl 2-[(2,4-dichlorobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136002
ethyl 2-[(4-butoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7135910
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7135925
(6R)-2-[(2,4-dimethoxybenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40579559
methyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136089
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1282917
methyl 2-[(4-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2179603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The IUPAC name of methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate (CID 7135997) is methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The canonical SMILES for methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CC[NH+](C)C2.
What is the InChIKey of methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The InChIKey is FCRGNLNCUIBUNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O5S/c1-21-8-7-13-15(10-21)27-18(16(13)19(23)26-4)20-17(22)12-6-5-11(24-2)9-14(12)25-3/h5-6,9H,7-8,10H2,1-4H3,(H,20,22)/p+1.
What are the key properties of methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate is sourced from PubChem (CID 7135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).