(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide

C18H22N2O2S — CID 26034686

IUPAC(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCCc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14-12-16-13-17(23(19,21)22)9-10-18(16)20(14)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyMAQGZKGMACHLQV-AWEZNQCLSA-N
MW330.45 g/mol
LogP2.72
Rot. Bonds5

About (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide

(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 26034686) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID26034686
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCCc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14-12-16-13-17(23(19,21)22)9-10-18(16)20(14)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyMAQGZKGMACHLQV-AWEZNQCLSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34918587
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 150677121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide (CID 26034686) is (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide is C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCCc1ccccc1.
What is the InChIKey of (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MAQGZKGMACHLQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-12-16-13-17(23(19,21)22)9-10-18(16)20(14)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H2,19,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide?
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26034686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).