(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C16H22N2O5S2 — CID 51923439

IUPAC(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H22N2O5S2/c1-11-8-13-9-12(4-5-14(13)18(11)24(3,20)21)15(19)17-16(2)6-7-25(22,23)10-16/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,19)/t11-,16-/m1/s1
InChIKeyDBOXSAVILMXOSS-BDJLRTHQSA-N
MW386.50 g/mol
LogP0.70
Rot. Bonds3

About (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51923439) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID51923439
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H22N2O5S2/c1-11-8-13-9-12(4-5-14(13)18(11)24(3,20)21)15(19)17-16(2)6-7-25(22,23)10-16/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,19)/t11-,16-/m1/s1
InChIKeyDBOXSAVILMXOSS-BDJLRTHQSA-N
XLogP0.70
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 51923439) is (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DBOXSAVILMXOSS-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-11-8-13-9-12(4-5-14(13)18(11)24(3,20)21)15(19)17-16(2)6-7-25(22,23)10-16/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,19)/t11-,16-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).