5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C21H28N4OS — CID 20940588

IUPAC5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1
InChIInChI=1S/C21H28N4OS/c1-2-23-13-15-24(16-14-23)12-10-22-21(26)19-7-8-20(27-19)25-11-9-17-5-3-4-6-18(17)25/h3-8H,2,9-16H2,1H3,(H,22,26)
InChIKeyIVMXNMOACZSGOD-UHFFFAOYSA-N
MW384.55 g/mol
LogP2.81
Rot. Bonds6

About 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 20940588) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID20940588
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1
InChIInChI=1S/C21H28N4OS/c1-2-23-13-15-24(16-14-23)12-10-22-21(26)19-7-8-20(27-19)25-11-9-17-5-3-4-6-18(17)25/h3-8H,2,9-16H2,1H3,(H,22,26)
InChIKeyIVMXNMOACZSGOD-UHFFFAOYSA-N
XLogP2.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 20940588) is 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is CCN1CCN(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IVMXNMOACZSGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-2-23-13-15-24(16-14-23)12-10-22-21(26)19-7-8-20(27-19)25-11-9-17-5-3-4-6-18(17)25/h3-8H,2,9-16H2,1H3,(H,22,26).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 20940588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).