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

C14H12ClNOS — CID 26367348

IUPAC(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C[C@@H]1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClNOS/c1-8-4-5-18-13(8)7-11-10-6-9(15)2-3-12(10)16-14(11)17/h2-6,11H,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyNJMOACGNMKXZJM-NSHDSACASA-N
MW277.78 g/mol
LogP3.99
Rot. Bonds2

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

(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 26367348) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID26367348
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C[C@@H]1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClNOS/c1-8-4-5-18-13(8)7-11-10-6-9(15)2-3-12(10)16-14(11)17/h2-6,11H,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyNJMOACGNMKXZJM-NSHDSACASA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 26367348) is (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccsc1C[C@@H]1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is NJMOACGNMKXZJM-NSHDSACASA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-8-4-5-18-13(8)7-11-10-6-9(15)2-3-12(10)16-14(11)17/h2-6,11H,7H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 277.78 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).