1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C16H18N2O3S3 — CID 7681130

IUPAC1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)cs3)ccc21
InChIInChI=1S/C16H18N2O3S3/c1-3-24(20,21)18-7-6-12-8-13(4-5-14(12)18)15(19)10-23-16-17-11(2)9-22-16/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyYVAULRJETVRAEL-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.14
Rot. Bonds6

About 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 7681130) has the molecular formula C16H18N2O3S3 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID7681130
Molecular FormulaC16H18N2O3S3
Molecular Weight382.53 g/mol
Exact Mass382.05
IUPAC Name1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)cs3)ccc21
InChIInChI=1S/C16H18N2O3S3/c1-3-24(20,21)18-7-6-12-8-13(4-5-14(12)18)15(19)10-23-16-17-11(2)9-22-16/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyYVAULRJETVRAEL-UHFFFAOYSA-N
XLogP3.14
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 7681130) is 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)cs3)ccc21.
What is the InChIKey of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is YVAULRJETVRAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S3/c1-3-24(20,21)18-7-6-12-8-13(4-5-14(12)18)15(19)10-23-16-17-11(2)9-22-16/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 382.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 7681130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).