5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

C19H28N4OS — CID 53191656

IUPAC5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C19H28N4OS/c1-21-8-10-22(11-9-21)7-6-20-19(24)17-12-15-13-23(14-18(15)25-17)16-4-2-3-5-16/h12-14,16H,2-11H2,1H3,(H,20,24)
InChIKeyGKTAMTLUBWFXMI-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.80
Rot. Bonds5

About 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191656) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191656
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C19H28N4OS/c1-21-8-10-22(11-9-21)7-6-20-19(24)17-12-15-13-23(14-18(15)25-17)16-4-2-3-5-16/h12-14,16H,2-11H2,1H3,(H,20,24)
InChIKeyGKTAMTLUBWFXMI-UHFFFAOYSA-N
XLogP2.80
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
5-cyclopropyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 53191518
5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054452
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054471
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53191471
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 79964784
N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 87054451
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (CID 53191656) is 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is CN1CCN(CCNC(=O)c2cc3cn(C4CCCC4)cc3s2)CC1.
What is the InChIKey of 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is GKTAMTLUBWFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-21-8-10-22(11-9-21)7-6-20-19(24)17-12-15-13-23(14-18(15)25-17)16-4-2-3-5-16/h12-14,16H,2-11H2,1H3,(H,20,24).
What are the key properties of 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 360.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).