CID 167493945

C27H36N2O5S — CID 167493945

IUPAC—
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(C(O)C(C)(C)C)o1
InChIInChI=1S/C27H36N2O5S/c1-5-35(32,33)28-18-6-7-20-19(16-18)27(14-12-26(10-11-26)13-15-27)17-29(20)24(31)22-9-8-21(34-22)23(30)25(2,3)4/h6-9,16,23,28,30H,5,10-15,17H2,1-4H3
InChIKeyGKJCYDMVPFKQSC-UHFFFAOYSA-N
MW500.66 g/mol
LogP5.37
Rot. Bonds5

About CID 167493945

CID 167493945 (PubChem CID 167493945) has the molecular formula C27H36N2O5S and a molecular weight of 500.66 g/mol.

Molecular Properties

Compound NameCID 167493945
PubChem CID167493945
Molecular FormulaC27H36N2O5S
Molecular Weight500.66 g/mol
Exact Mass500.23
IUPAC Name—
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(C(O)C(C)(C)C)o1
InChIInChI=1S/C27H36N2O5S/c1-5-35(32,33)28-18-6-7-20-19(16-18)27(14-12-26(10-11-26)13-15-27)17-29(20)24(31)22-9-8-21(34-22)23(30)25(2,3)4/h6-9,16,23,28,30H,5,10-15,17H2,1-4H3
InChIKeyGKJCYDMVPFKQSC-UHFFFAOYSA-N
XLogP5.37
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze CID 167493945 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 167493769
CID 167493769
N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide
CID 167494045
CID 170176354
CID 170176354
CID 167494190
CID 167494190
CID 167493685
CID 167493685
N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493854
CID 167493686
CID 167493686
CID 167493911
CID 167493911
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 167493724
CID 167493724
CID 167493507
CID 167493507

Frequently Asked Questions

What is the IUPAC name of CID 167493945?
The IUPAC name of CID 167493945 (CID 167493945) is not available.
What is the SMILES notation for CID 167493945?
The canonical SMILES for CID 167493945 is CCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(C(O)C(C)(C)C)o1.
What is the InChIKey of CID 167493945?
The InChIKey is GKJCYDMVPFKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5S/c1-5-35(32,33)28-18-6-7-20-19(16-18)27(14-12-26(10-11-26)13-15-27)17-29(20)24(31)22-9-8-21(34-22)23(30)25(2,3)4/h6-9,16,23,28,30H,5,10-15,17H2,1-4H3.
What are the key properties of CID 167493945?
CID 167493945 has a molecular weight of 500.66 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493945 is sourced from PubChem (CID 167493945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).