(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C22H25N3O2S — CID 87054456

IUPAC(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C22H25N3O2S/c1-2-27-19-6-4-3-5-18(19)23-9-11-24(12-10-23)22(26)20-13-16-14-25(17-7-8-17)15-21(16)28-20/h3-6,13-15,17H,2,7-12H2,1H3
InChIKeyBFMURDHIKSIQGA-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.40
Rot. Bonds5

About (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 87054456) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID87054456
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C22H25N3O2S/c1-2-27-19-6-4-3-5-18(19)23-9-11-24(12-10-23)22(26)20-13-16-14-25(17-7-8-17)15-21(16)28-20/h3-6,13-15,17H,2,7-12H2,1H3
InChIKeyBFMURDHIKSIQGA-UHFFFAOYSA-N
XLogP4.40
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53191630
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74250244
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8966514
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
1-[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171932303
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 24663377
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 87054456) is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is BFMURDHIKSIQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-27-19-6-4-3-5-18(19)23-9-11-24(12-10-23)22(26)20-13-16-14-25(17-7-8-17)15-21(16)28-20/h3-6,13-15,17H,2,7-12H2,1H3.
What are the key properties of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 87054456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).