CID 167493507

C28H36N2O5S2 — CID 167493507

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)C2CCCC2)c1.[H][H]
InChIInChI=1S/C28H34N2O5S2.H2/c1-36(32,33)29-21-9-10-25-24(18-21)28(15-13-27(11-12-27)14-16-28)19-30(25)26(31)20-5-4-8-23(17-20)37(34,35)22-6-2-3-7-22;/h4-5,8-10,17-18,22,29H,2-3,6-7,11-16,19H2,1H3;1H
InChIKeyMDNIBCSXYOLVOA-UHFFFAOYSA-N
MW544.74 g/mol
LogP5.27
Rot. Bonds5

About CID 167493507

CID 167493507 (PubChem CID 167493507) has the molecular formula C28H36N2O5S2 and a molecular weight of 544.74 g/mol.

Molecular Properties

Compound NameCID 167493507
PubChem CID167493507
Molecular FormulaC28H36N2O5S2
Molecular Weight544.74 g/mol
Exact Mass544.21
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)C2CCCC2)c1.[H][H]
InChIInChI=1S/C28H34N2O5S2.H2/c1-36(32,33)29-21-9-10-25-24(18-21)28(15-13-27(11-12-27)14-16-28)19-30(25)26(31)20-5-4-8-23(17-20)37(34,35)22-6-2-3-7-22;/h4-5,8-10,17-18,22,29H,2-3,6-7,11-16,19H2,1H3;1H
InChIKeyMDNIBCSXYOLVOA-UHFFFAOYSA-N
XLogP5.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 167493911
CID 167493911
CID 167493685
CID 167493685
CID 167493484
CID 167493484
CID 167493617
CID 167493617
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167494190
CID 167494190
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
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 167493507?
The IUPAC name of CID 167493507 (CID 167493507) is not available.
What is the SMILES notation for CID 167493507?
The canonical SMILES for CID 167493507 is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)C2CCCC2)c1.[H][H].
What is the InChIKey of CID 167493507?
The InChIKey is MDNIBCSXYOLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5S2.H2/c1-36(32,33)29-21-9-10-25-24(18-21)28(15-13-27(11-12-27)14-16-28)19-30(25)26(31)20-5-4-8-23(17-20)37(34,35)22-6-2-3-7-22;/h4-5,8-10,17-18,22,29H,2-3,6-7,11-16,19H2,1H3;1H.
What are the key properties of CID 167493507?
CID 167493507 has a molecular weight of 544.74 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493507 is sourced from PubChem (CID 167493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).