1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

C25H31N3O3S — CID 100738258

IUPAC1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H31N3O3S/c1-18(19-7-9-22(10-8-19)27-14-3-2-4-15-27)26-32(30,31)23-11-12-24-21(17-23)13-16-28(24)25(29)20-5-6-20/h7-12,17-18,20,26H,2-6,13-16H2,1H3/t18-/m0/s1
InChIKeyTUCAPRQCGXPBDX-SFHVURJKSA-N
MW453.61 g/mol
LogP4.02
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 100738258) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID100738258
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H31N3O3S/c1-18(19-7-9-22(10-8-19)27-14-3-2-4-15-27)26-32(30,31)23-11-12-24-21(17-23)13-16-28(24)25(29)20-5-6-20/h7-12,17-18,20,26H,2-6,13-16H2,1H3/t18-/m0/s1
InChIKeyTUCAPRQCGXPBDX-SFHVURJKSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100758927
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 125059365
1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133235692
1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133217573
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-(4-methyl-4-phenylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 133160493
1-[4-[4-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]piperazin-1-yl]phenyl]ethanone
CID 20853209
methyl 2-methyl-5-[[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]sulfamoyl]benzoate
CID 100606052
1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
CID 100756510
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 100738258) is 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is TUCAPRQCGXPBDX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-18(19-7-9-22(10-8-19)27-14-3-2-4-15-27)26-32(30,31)23-11-12-24-21(17-23)13-16-28(24)25(29)20-5-6-20/h7-12,17-18,20,26H,2-6,13-16H2,1H3/t18-/m0/s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100738258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).