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

C15H15ClN2OS — CID 43691754

IUPAC6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(C)Nc2cc3c(cc2Cl)NC(=O)C3)s1
InChIInChI=1S/C15H15ClN2OS/c1-8-3-4-14(20-8)9(2)17-13-5-10-6-15(19)18-12(10)7-11(13)16/h3-5,7,9,17H,6H2,1-2H3,(H,18,19)
InChIKeyAXGRPOAPILIOOJ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.38
Rot. Bonds3

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

6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43691754) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43691754
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(C)Nc2cc3c(cc2Cl)NC(=O)C3)s1
InChIInChI=1S/C15H15ClN2OS/c1-8-3-4-14(20-8)9(2)17-13-5-10-6-15(19)18-12(10)7-11(13)16/h3-5,7,9,17H,6H2,1-2H3,(H,18,19)
InChIKeyAXGRPOAPILIOOJ-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43691672
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
CID 43704875
6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43691683

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one (CID 43691754) is 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one is Cc1ccc(C(C)Nc2cc3c(cc2Cl)NC(=O)C3)s1.
What is the InChIKey of 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is AXGRPOAPILIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-8-3-4-14(20-8)9(2)17-13-5-10-6-15(19)18-12(10)7-11(13)16/h3-5,7,9,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 306.82 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(5-methylthiophen-2-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).