(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide

C24H24N2O4S — CID 42505329

IUPAC(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-7-3-6-10-23(17)30-18(2)24(27)25-20-11-13-21(14-12-20)31(28,29)26-16-15-19-8-4-5-9-22(19)26/h3-14,18H,15-16H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyZBETZEORHNMJIG-SFHVURJKSA-N
MW436.53 g/mol
LogP4.15
Rot. Bonds6

About (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide

(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide (PubChem CID 42505329) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide
PubChem CID42505329
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-7-3-6-10-23(17)30-18(2)24(27)25-20-11-13-21(14-12-20)31(28,29)26-16-15-19-8-4-5-9-22(19)26/h3-14,18H,15-16H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyZBETZEORHNMJIG-SFHVURJKSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide
CID 4932003
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951255
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 42505330
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea
CID 25237349
(3R)-5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-3-methyl-5-oxopentanoic acid
CID 27522470
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100517901
[1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 42970548
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide (CID 42505329) is (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is ZBETZEORHNMJIG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-7-3-6-10-23(17)30-18(2)24(27)25-20-11-13-21(14-12-20)31(28,29)26-16-15-19-8-4-5-9-22(19)26/h3-14,18H,15-16H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 436.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 42505329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).