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

C16H22N2O4S — CID 41452585

IUPAC(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H22N2O4S/c1-11-8-13-9-12(5-6-15(13)18(11)23(2,20)21)16(19)17-10-14-4-3-7-22-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyZYNPSAWJHGUDNT-RISCZKNCSA-N
MW338.43 g/mol
LogP1.31
Rot. Bonds4

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

(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 41452585) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID41452585
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H22N2O4S/c1-11-8-13-9-12(5-6-15(13)18(11)23(2,20)21)16(19)17-10-14-4-3-7-22-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyZYNPSAWJHGUDNT-RISCZKNCSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 92671126
(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51221584
N-(3-butoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51219164
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-2-methyl-1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 9483091
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51887858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide (CID 41452585) is (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZYNPSAWJHGUDNT-RISCZKNCSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11-8-13-9-12(5-6-15(13)18(11)23(2,20)21)16(19)17-10-14-4-3-7-22-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,14+/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 41452585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).