N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C22H29N3O5S — CID 24564242

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C22H29N3O5S/c1-6-25(7-2)31(29,30)14-8-9-17(26)15(10-14)24-21(28)20-13(3)19-16(23-20)11-22(4,5)12-18(19)27/h8-10,23,26H,6-7,11-12H2,1-5H3,(H,24,28)
InChIKeyQHAOPIKWAUUDAC-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.47
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 24564242) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID24564242
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C22H29N3O5S/c1-6-25(7-2)31(29,30)14-8-9-17(26)15(10-14)24-21(28)20-13(3)19-16(23-20)11-22(4,5)12-18(19)27/h8-10,23,26H,6-7,11-12H2,1-5H3,(H,24,28)
InChIKeyQHAOPIKWAUUDAC-UHFFFAOYSA-N
XLogP3.47
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24540370
N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43020407
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[1-[(2-hydroxyphenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260060
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260610
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593
N-(2-hydroxy-5-methylsulfonylphenyl)-3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxamide
CID 155807128
N-[1-[2-(difluoromethyl)anilino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745828

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 24564242) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is QHAOPIKWAUUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-6-25(7-2)31(29,30)14-8-9-17(26)15(10-14)24-21(28)20-13(3)19-16(23-20)11-22(4,5)12-18(19)27/h8-10,23,26H,6-7,11-12H2,1-5H3,(H,24,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 24564242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).