N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide

C24H30N2O4S — CID 132672583

IUPACN-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide
SMILESCC(Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O4S/c1-17-16-19-8-6-7-11-23(19)26(17)31(28,29)22-14-12-21(13-15-22)30-18(2)24(27)25-20-9-4-3-5-10-20/h6-8,11-15,17-18,20H,3-5,9-10,16H2,1-2H3,(H,25,27)
InChIKeyQYSJJLQLYAXJTN-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.04
Rot. Bonds6

About N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide

N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide (PubChem CID 132672583) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide
PubChem CID132672583
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide
SMILESCC(Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O4S/c1-17-16-19-8-6-7-11-23(19)26(17)31(28,29)22-14-12-21(13-15-22)30-18(2)24(27)25-20-9-4-3-5-10-20/h6-8,11-15,17-18,20H,3-5,9-10,16H2,1-2H3,(H,25,27)
InChIKeyQYSJJLQLYAXJTN-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
[2-(cyclooctylamino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2551237
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide (CID 132672583) is N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide is CC(Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide?
The InChIKey is QYSJJLQLYAXJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-16-19-8-6-7-11-23(19)26(17)31(28,29)22-14-12-21(13-15-22)30-18(2)24(27)25-20-9-4-3-5-10-20/h6-8,11-15,17-18,20H,3-5,9-10,16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide?
N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide has a molecular weight of 442.58 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide is sourced from PubChem (CID 132672583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).