7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one

C15H15ClN2O2S — CID 10663658

IUPAC7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3cccs3)ccc(Cl)c2N1
InChIInChI=1S/C15H15ClN2O2S/c16-12-3-4-13(11-8-14(19)18-15(11)12)20-6-5-17-9-10-2-1-7-21-10/h1-4,7,17H,5-6,8-9H2,(H,18,19)
InChIKeyMXDAPRHGJIKJMQ-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.06
Rot. Bonds6

About 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one

7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10663658) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10663658
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3cccs3)ccc(Cl)c2N1
InChIInChI=1S/C15H15ClN2O2S/c16-12-3-4-13(11-8-14(19)18-15(11)12)20-6-5-17-9-10-2-1-7-21-10/h1-4,7,17H,5-6,8-9H2,(H,18,19)
InChIKeyMXDAPRHGJIKJMQ-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10663658) is 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3cccs3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is MXDAPRHGJIKJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-12-3-4-13(11-8-14(19)18-15(11)12)20-6-5-17-9-10-2-1-7-21-10/h1-4,7,17H,5-6,8-9H2,(H,18,19).
What are the key properties of 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 322.82 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10663658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).