5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

C22H27N3OS — CID 87054471

IUPAC5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN(CCNC(=O)c1cc2cn(C3CCCC3)cc2s1)c1ccccc1
InChIInChI=1S/C22H27N3OS/c1-2-24(18-8-4-3-5-9-18)13-12-23-22(26)20-14-17-15-25(16-21(17)27-20)19-10-6-7-11-19/h3-5,8-9,14-16,19H,2,6-7,10-13H2,1H3,(H,23,26)
InChIKeyRRRYSXQDEFANKQ-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.07
Rot. Bonds7

About 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87054471) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID87054471
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN(CCNC(=O)c1cc2cn(C3CCCC3)cc2s1)c1ccccc1
InChIInChI=1S/C22H27N3OS/c1-2-24(18-8-4-3-5-9-18)13-12-23-22(26)20-14-17-15-25(16-21(17)27-20)19-10-6-7-11-19/h3-5,8-9,14-16,19H,2,6-7,10-13H2,1H3,(H,23,26)
InChIKeyRRRYSXQDEFANKQ-UHFFFAOYSA-N
XLogP5.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 53191656
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191479
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-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 87054451
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (CID 87054471) is 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is CCN(CCNC(=O)c1cc2cn(C3CCCC3)cc2s1)c1ccccc1.
What is the InChIKey of 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is RRRYSXQDEFANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-2-24(18-8-4-3-5-9-18)13-12-23-22(26)20-14-17-15-25(16-21(17)27-20)19-10-6-7-11-19/h3-5,8-9,14-16,19H,2,6-7,10-13H2,1H3,(H,23,26).
What are the key properties of 5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 5.07, 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-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87054471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).