tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C22H26N2O5S — CID 2814704

IUPACtert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1ccc(C(=O)c2c(NC(C)=O)sc3c2CCN(C(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C22H26N2O5S/c1-13(25)23-20-18(19(26)14-6-8-15(28-5)9-7-14)16-10-11-24(12-17(16)30-20)21(27)29-22(2,3)4/h6-9H,10-12H2,1-5H3,(H,23,25)
InChIKeyFWGDLDPTCNSZBC-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 2814704) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID2814704
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Nametert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1ccc(C(=O)c2c(NC(C)=O)sc3c2CCN(C(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C22H26N2O5S/c1-13(25)23-20-18(19(26)14-6-8-15(28-5)9-7-14)16-10-11-24(12-17(16)30-20)21(27)29-22(2,3)4/h6-9H,10-12H2,1-5H3,(H,23,25)
InChIKeyFWGDLDPTCNSZBC-UHFFFAOYSA-N
XLogP4.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5710767
5-{[5-Ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2814703
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidinoacetamide
CID 2814368
4-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 2814701
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
ethyl 2-[(4-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1038203
2-(3-(4-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1083543

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 2814704) is tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CCN(C(=O)OC(C)(C)C)C3)cc1.
What is the InChIKey of tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is FWGDLDPTCNSZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-13(25)23-20-18(19(26)14-6-8-15(28-5)9-7-14)16-10-11-24(12-17(16)30-20)21(27)29-22(2,3)4/h6-9H,10-12H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 430.53 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetamido-3-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 2814704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).