3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide

C23H26N2O3S — CID 94069346

IUPAC3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-16(17-8-4-3-5-9-17)15-24-29(27,28)19-12-13-21-20(14-19)22(23(26)25(21)2)18-10-6-7-11-18/h3-5,8-9,12-14,16,24H,6-7,10-11,15H2,1-2H3/t16-/m0/s1
InChIKeyZYHXCFODUYICLI-INIZCTEOSA-N
MW410.54 g/mol
LogP4.07
Rot. Bonds5

About 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide

3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide (PubChem CID 94069346) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
PubChem CID94069346
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-16(17-8-4-3-5-9-17)15-24-29(27,28)19-12-13-21-20(14-19)22(23(26)25(21)2)18-10-6-7-11-18/h3-5,8-9,12-14,16,24H,6-7,10-11,15H2,1-2H3/t16-/m0/s1
InChIKeyZYHXCFODUYICLI-INIZCTEOSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
Isatin Sulfonamide 26
CID 9800285
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-[5-(Azetidin-1-ylsulfonyl)-1-benzyl-2-oxoindol-3-ylidene]propanedinitrile
CID 42618288
2-(1-Benzyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-3-ylidene)propanedinitrile
CID 42618291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide (CID 94069346) is 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide is C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C)c1ccccc1.
What is the InChIKey of 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide?
The InChIKey is ZYHXCFODUYICLI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(17-8-4-3-5-9-17)15-24-29(27,28)19-12-13-21-20(14-19)22(23(26)25(21)2)18-10-6-7-11-18/h3-5,8-9,12-14,16,24H,6-7,10-11,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide?
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide is sourced from PubChem (CID 94069346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).