N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide

C13H18N2OS — CID 75768805

IUPACN-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc2sccc2n1CC
InChIInChI=1S/C13H18N2OS/c1-4-9(3)14-13(16)11-8-12-10(6-7-17-12)15(11)5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyDNPRWXHWQTWLKE-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.25
Rot. Bonds4

About N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide

N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 75768805) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID75768805
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc2sccc2n1CC
InChIInChI=1S/C13H18N2OS/c1-4-9(3)14-13(16)11-8-12-10(6-7-17-12)15(11)5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyDNPRWXHWQTWLKE-UHFFFAOYSA-N
XLogP3.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide (CID 75768805) is N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide is CCC(C)NC(=O)c1cc2sccc2n1CC.
What is the InChIKey of N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DNPRWXHWQTWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-9(3)14-13(16)11-8-12-10(6-7-17-12)15(11)5-2/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75768805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).