2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide

C16H18F2N2O3S — CID 178005083

IUPAC2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide
SMILESCO[C@]1(C2CCSCC2)C(=O)N(CC(N)=O)c2ccc(F)c(F)c21
InChIInChI=1S/C16H18F2N2O3S/c1-23-16(9-4-6-24-7-5-9)13-11(3-2-10(17)14(13)18)20(15(16)22)8-12(19)21/h2-3,9H,4-8H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeySASUYMXMXUWSPO-INIZCTEOSA-N
MW356.39 g/mol
LogP1.78
Rot. Bonds4

About 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide

2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide (PubChem CID 178005083) has the molecular formula C16H18F2N2O3S and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide
PubChem CID178005083
Molecular FormulaC16H18F2N2O3S
Molecular Weight356.39 g/mol
Exact Mass356.10
IUPAC Name2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide
SMILESCO[C@]1(C2CCSCC2)C(=O)N(CC(N)=O)c2ccc(F)c(F)c21
InChIInChI=1S/C16H18F2N2O3S/c1-23-16(9-4-6-24-7-5-9)13-11(3-2-10(17)14(13)18)20(15(16)22)8-12(19)21/h2-3,9H,4-8H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeySASUYMXMXUWSPO-INIZCTEOSA-N
XLogP1.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide?
The IUPAC name of 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide (CID 178005083) is 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide is CO[C@]1(C2CCSCC2)C(=O)N(CC(N)=O)c2ccc(F)c(F)c21.
What is the InChIKey of 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide?
The InChIKey is SASUYMXMXUWSPO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N2O3S/c1-23-16(9-4-6-24-7-5-9)13-11(3-2-10(17)14(13)18)20(15(16)22)8-12(19)21/h2-3,9H,4-8H2,1H3,(H2,19,21)/t16-/m0/s1.
What are the key properties of 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide?
2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide is sourced from PubChem (CID 178005083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).