1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide

C22H33N3O3S — CID 91957150

IUPAC1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3(CN4CCCC4)CC3)cc(C)c21
InChIInChI=1S/C22H33N3O3S/c1-5-25-19-16(2)12-17(13-18(19)21(3,4)20(25)26)29(27,28)23-14-22(8-9-22)15-24-10-6-7-11-24/h12-13,23H,5-11,14-15H2,1-4H3
InChIKeyCTZCGKURSJJJOZ-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.79
Rot. Bonds7

About 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide

1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide (PubChem CID 91957150) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide
PubChem CID91957150
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC Name1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3(CN4CCCC4)CC3)cc(C)c21
InChIInChI=1S/C22H33N3O3S/c1-5-25-19-16(2)12-17(13-18(19)21(3,4)20(25)26)29(27,28)23-14-22(8-9-22)15-24-10-6-7-11-24/h12-13,23H,5-11,14-15H2,1-4H3
InChIKeyCTZCGKURSJJJOZ-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide with MolForge

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Related Compounds

1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
CID 56731536
1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 91953842
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731556
3,4-dimethoxy-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]benzenesulfonamide
CID 91957734
N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731558
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-3-methyl-5-nitrobenzenesulfonamide
CID 103896429
1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
CID 56731565
3,4-dimethoxy-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]benzenesulfonamide
CID 91957934
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride
CID 102533920
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329415
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide?
The IUPAC name of 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide (CID 91957150) is 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide?
The canonical SMILES for 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide is CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3(CN4CCCC4)CC3)cc(C)c21.
What is the InChIKey of 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide?
The InChIKey is CTZCGKURSJJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-5-25-19-16(2)12-17(13-18(19)21(3,4)20(25)26)29(27,28)23-14-22(8-9-22)15-24-10-6-7-11-24/h12-13,23H,5-11,14-15H2,1-4H3.
What are the key properties of 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide?
1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide has a molecular weight of 419.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide is sourced from PubChem (CID 91957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).