6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one

C16H17ClN2OS — CID 79810168

IUPAC6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cscc1C)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H17ClN2OS/c1-3-18-16(12-8-21-7-9(12)2)11-4-10-5-15(20)19-14(10)6-13(11)17/h4,6-8,16,18H,3,5H2,1-2H3,(H,19,20)
InChIKeyPWVLUFHXEAZQKN-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.90
Rot. Bonds4

About 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 79810168) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID79810168
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cscc1C)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H17ClN2OS/c1-3-18-16(12-8-21-7-9(12)2)11-4-10-5-15(20)19-14(10)6-13(11)17/h4,6-8,16,18H,3,5H2,1-2H3,(H,19,20)
InChIKeyPWVLUFHXEAZQKN-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one (CID 79810168) is 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one is CCNC(c1cscc1C)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is PWVLUFHXEAZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-3-18-16(12-8-21-7-9(12)2)11-4-10-5-15(20)19-14(10)6-13(11)17/h4,6-8,16,18H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 320.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79810168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).