N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C24H30N2O4S — CID 100561594

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-24(2,3)19-6-8-20(9-7-19)30-15-13-25-31(28,29)21-10-11-22-18(16-21)12-14-26(22)23(27)17-4-5-17/h6-11,16-17,25H,4-5,12-15H2,1-3H3
InChIKeyUKVXSRSSYSDWKN-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 100561594) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID100561594
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-24(2,3)19-6-8-20(9-7-19)30-15-13-25-31(28,29)21-10-11-22-18(16-21)12-14-26(22)23(27)17-4-5-17/h6-11,16-17,25H,4-5,12-15H2,1-3H3
InChIKeyUKVXSRSSYSDWKN-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 46361256
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 30365992
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46972315
1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 17497175
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 100561594) is N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UKVXSRSSYSDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-24(2,3)19-6-8-20(9-7-19)30-15-13-25-31(28,29)21-10-11-22-18(16-21)12-14-26(22)23(27)17-4-5-17/h6-11,16-17,25H,4-5,12-15H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 442.58 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100561594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).