1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide

C23H33N3O4S — CID 20901007

IUPAC1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3CCC(C(=O)N4CCCC4)CC3)ccc21
InChIInChI=1S/C23H33N3O4S/c1-23(2)19-14-18(10-11-20(19)25(3)22(23)28)31(29,30)24-15-16-6-8-17(9-7-16)21(27)26-12-4-5-13-26/h10-11,14,16-17,24H,4-9,12-13,15H2,1-3H3
InChIKeyAZKFOAYOLJBEMM-UHFFFAOYSA-N
MW447.60 g/mol
LogP2.65
Rot. Bonds5

About 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide

1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide (PubChem CID 20901007) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
PubChem CID20901007
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3CCC(C(=O)N4CCCC4)CC3)ccc21
InChIInChI=1S/C23H33N3O4S/c1-23(2)19-14-18(10-11-20(19)25(3)22(23)28)31(29,30)24-15-16-6-8-17(9-7-16)21(27)26-12-4-5-13-26/h10-11,14,16-17,24H,4-9,12-13,15H2,1-3H3
InChIKeyAZKFOAYOLJBEMM-UHFFFAOYSA-N
XLogP2.65
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
CID 20901006
N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901008
N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901009
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide?
The IUPAC name of 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide (CID 20901007) is 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide.
What is the SMILES notation for 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide?
The canonical SMILES for 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC3CCC(C(=O)N4CCCC4)CC3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide?
The InChIKey is AZKFOAYOLJBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-23(2)19-14-18(10-11-20(19)25(3)22(23)28)31(29,30)24-15-16-6-8-17(9-7-16)21(27)26-12-4-5-13-26/h10-11,14,16-17,24H,4-9,12-13,15H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide?
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide has a molecular weight of 447.60 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide is sourced from PubChem (CID 20901007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).