3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C22H26N4O2S2 — CID 23745648

IUPAC3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)sc2n1
InChIInChI=1S/C22H26N4O2S2/c1-2-3-7-12-10-11-14-17(23)18(30-21(14)25-12)20(28)26-22-16(19(24)27)13-8-5-4-6-9-15(13)29-22/h10-11H,2-9,23H2,1H3,(H2,24,27)(H,26,28)
InChIKeyYTBFMIZMNZSSNP-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.90
Rot. Bonds6

About 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23745648) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23745648
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC Name3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)sc2n1
InChIInChI=1S/C22H26N4O2S2/c1-2-3-7-12-10-11-14-17(23)18(30-21(14)25-12)20(28)26-22-16(19(24)27)13-8-5-4-6-9-15(13)29-22/h10-11H,2-9,23H2,1H3,(H2,24,27)(H,26,28)
InChIKeyYTBFMIZMNZSSNP-UHFFFAOYSA-N
XLogP4.90
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-butyl-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832677
ethyl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23970102
3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23916871
3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
CID 21233452
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
ethyl 2-[(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23997887
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3568140
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
CID 25038545
ethyl 2-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22331779
ethyl 2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
CID 23944860
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 23745648) is 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is CCCCc1ccc2c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)sc2n1.
What is the InChIKey of 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YTBFMIZMNZSSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c1-2-3-7-12-10-11-14-17(23)18(30-21(14)25-12)20(28)26-22-16(19(24)27)13-8-5-4-6-9-15(13)29-22/h10-11H,2-9,23H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23745648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).