(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one

C22H24N2O3S — CID 98271457

IUPAC(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc21
InChIInChI=1S/C22H24N2O3S/c1-15(2)21-19-14-18(8-9-20(19)23-22(21)25)28(26,27)24-12-10-17(11-13-24)16-6-4-3-5-7-16/h3-10,14-15,21H,11-13H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyDSWRFTQRPLRARV-OAQYLSRUSA-N
MW396.51 g/mol
LogP3.86
Rot. Bonds4

About (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one

(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 98271457) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID98271457
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc21
InChIInChI=1S/C22H24N2O3S/c1-15(2)21-19-14-18(8-9-20(19)23-22(21)25)28(26,27)24-12-10-17(11-13-24)16-6-4-3-5-7-16/h3-10,14-15,21H,11-13H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyDSWRFTQRPLRARV-OAQYLSRUSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one (CID 98271457) is (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one is CC(C)[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc21.
What is the InChIKey of (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is DSWRFTQRPLRARV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15(2)21-19-14-18(8-9-20(19)23-22(21)25)28(26,27)24-12-10-17(11-13-24)16-6-4-3-5-7-16/h3-10,14-15,21H,11-13H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one?
(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 396.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 98271457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).