CID 167493617

C29H41N3O5S2 — CID 167493617

IUPAC—
SMILESCC1CCC(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)C1.[H][H].[H][H]
InChIInChI=1S/C29H37N3O5S2.2H2/c1-20-6-7-22(16-20)31-39(36,37)24-5-3-4-21(17-24)27(33)32-19-29(14-12-28(10-11-28)13-15-29)25-18-23(8-9-26(25)32)30-38(2,34)35;;/h3-5,8-9,17-18,20,22,30-31H,6-7,10-16,19H2,1-2H3;2*1H
InChIKeyAVOXXLZJPVYWNV-UHFFFAOYSA-N
MW575.80 g/mol
LogP5.27
Rot. Bonds6

About CID 167493617

CID 167493617 (PubChem CID 167493617) has the molecular formula C29H41N3O5S2 and a molecular weight of 575.80 g/mol.

Molecular Properties

Compound NameCID 167493617
PubChem CID167493617
Molecular FormulaC29H41N3O5S2
Molecular Weight575.80 g/mol
Exact Mass575.25
IUPAC Name—
SMILESCC1CCC(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)C1.[H][H].[H][H]
InChIInChI=1S/C29H37N3O5S2.2H2/c1-20-6-7-22(16-20)31-39(36,37)24-5-3-4-21(17-24)27(33)32-19-29(14-12-28(10-11-28)13-15-29)25-18-23(8-9-26(25)32)30-38(2,34)35;;/h3-5,8-9,17-18,20,22,30-31H,6-7,10-16,19H2,1-2H3;2*1H
InChIKeyAVOXXLZJPVYWNV-UHFFFAOYSA-N
XLogP5.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.80
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 167493507
CID 167493507
CID 167493911
CID 167493911
CID 167493685
CID 167493685
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
CID 167493484
CID 167493484
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
CID 167494190
CID 167494190
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745

Frequently Asked Questions

What is the IUPAC name of CID 167493617?
The IUPAC name of CID 167493617 (CID 167493617) is not available.
What is the SMILES notation for CID 167493617?
The canonical SMILES for CID 167493617 is CC1CCC(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)C1.[H][H].[H][H].
What is the InChIKey of CID 167493617?
The InChIKey is AVOXXLZJPVYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O5S2.2H2/c1-20-6-7-22(16-20)31-39(36,37)24-5-3-4-21(17-24)27(33)32-19-29(14-12-28(10-11-28)13-15-29)25-18-23(8-9-26(25)32)30-38(2,34)35;;/h3-5,8-9,17-18,20,22,30-31H,6-7,10-16,19H2,1-2H3;2*1H.
What are the key properties of CID 167493617?
CID 167493617 has a molecular weight of 575.80 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493617 is sourced from PubChem (CID 167493617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).