N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide

C15H20N2OS — CID 647570

IUPACN-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCN(C(=O)c1cc2sccc2n1C)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-16(11-6-4-3-5-7-11)15(18)13-10-14-12(17(13)2)8-9-19-14/h8-11H,3-7H2,1-2H3
InChIKeyAKTYXVQVZJLCEL-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.64
Rot. Bonds2

About N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide

N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 647570) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID647570
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCN(C(=O)c1cc2sccc2n1C)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-16(11-6-4-3-5-7-11)15(18)13-10-14-12(17(13)2)8-9-19-14/h8-11H,3-7H2,1-2H3
InChIKeyAKTYXVQVZJLCEL-UHFFFAOYSA-N
XLogP3.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide (CID 647570) is N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide is CN(C(=O)c1cc2sccc2n1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AKTYXVQVZJLCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-16(11-6-4-3-5-7-11)15(18)13-10-14-12(17(13)2)8-9-19-14/h8-11H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 647570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).