N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C19H22N2O2S — CID 6487103

IUPACN-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccoc2)C2CCCCC2)cc2sccc21
InChIInChI=1S/C19H22N2O2S/c1-20-16-8-10-24-18(16)11-17(20)19(22)21(12-14-7-9-23-13-14)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3
InChIKeyHNJLNEFXCPJUFB-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.81
Rot. Bonds4

About N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 6487103) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID6487103
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccoc2)C2CCCCC2)cc2sccc21
InChIInChI=1S/C19H22N2O2S/c1-20-16-8-10-24-18(16)11-17(20)19(22)21(12-14-7-9-23-13-14)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3
InChIKeyHNJLNEFXCPJUFB-UHFFFAOYSA-N
XLogP4.81
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 6487103) is N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)N(Cc2ccoc2)C2CCCCC2)cc2sccc21.
What is the InChIKey of N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HNJLNEFXCPJUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-20-16-8-10-24-18(16)11-17(20)19(22)21(12-14-7-9-23-13-14)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3.
What are the key properties of N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 6487103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).