N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

C28H37N3O6S2 — CID 167493854

IUPAC—
SMILESCOc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C28H37N3O6S2/c1-26(2,3)30-39(35,36)24-16-19(6-9-23(24)37-4)25(32)31-18-28(14-12-27(10-11-27)13-15-28)21-17-20(7-8-22(21)31)29-38(5,33)34/h6-9,16-17,29-30H,10-15,18H2,1-5H3
InChIKeyVQLHWUFZRDVZBT-UHFFFAOYSA-N
MW575.75 g/mol
LogP4.40
Rot. Bonds6

About N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (PubChem CID 167493854) has the molecular formula C28H37N3O6S2 and a molecular weight of 575.75 g/mol.

Molecular Properties

Compound NameN-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
PubChem CID167493854
Molecular FormulaC28H37N3O6S2
Molecular Weight575.75 g/mol
Exact Mass575.21
IUPAC Name—
SMILESCOc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C28H37N3O6S2/c1-26(2,3)30-39(35,36)24-16-19(6-9-23(24)37-4)25(32)31-18-28(14-12-27(10-11-27)13-15-28)21-17-20(7-8-22(21)31)29-38(5,33)34/h6-9,16-17,29-30H,10-15,18H2,1-5H3
InChIKeyVQLHWUFZRDVZBT-UHFFFAOYSA-N
XLogP4.40
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.75
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 167493686
CID 167493686
N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide
CID 167494045
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
N-tert-butyl-4-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]thiophene-2-sulfonamide
CID 167493772
CID 167493685
CID 167493685
CID 167493625
CID 167493625
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493911
CID 167493911
CID 167493507
CID 167493507
CID 167493617
CID 167493617
CID 167493769
CID 167493769
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539

Frequently Asked Questions

What is the IUPAC name of N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The IUPAC name of N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (CID 167493854) is not available.
What is the SMILES notation for N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The InChIKey is VQLHWUFZRDVZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O6S2/c1-26(2,3)30-39(35,36)24-16-19(6-9-23(24)37-4)25(32)31-18-28(14-12-27(10-11-27)13-15-28)21-17-20(7-8-22(21)31)29-38(5,33)34/h6-9,16-17,29-30H,10-15,18H2,1-5H3.
What are the key properties of N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide has a molecular weight of 575.75 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is sourced from PubChem (CID 167493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).