5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C18H29N3OS — CID 53171180

IUPAC5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C18H29N3OS/c1-3-20(4-2)10-9-19-18(22)16-11-14-12-21(13-17(14)23-16)15-7-5-6-8-15/h11,15H,3-10,12-13H2,1-2H3,(H,19,22)
InChIKeyJSVRUWIGZQRYBR-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.08
Rot. Bonds7

About 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171180) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171180
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C18H29N3OS/c1-3-20(4-2)10-9-19-18(22)16-11-14-12-21(13-17(14)23-16)15-7-5-6-8-15/h11,15H,3-10,12-13H2,1-2H3,(H,19,22)
InChIKeyJSVRUWIGZQRYBR-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171180) is 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CCN(CC)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is JSVRUWIGZQRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-3-20(4-2)10-9-19-18(22)16-11-14-12-21(13-17(14)23-16)15-7-5-6-8-15/h11,15H,3-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[2-(diethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).