CID 167494190

C29H36N2O4S — CID 167494190

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc([C@H](O)CC2CCC2)c1
InChIInChI=1S/C29H36N2O4S/c1-36(34,35)30-23-8-9-25-24(18-23)29(14-12-28(10-11-28)13-15-29)19-31(25)27(33)22-7-3-6-21(17-22)26(32)16-20-4-2-5-20/h3,6-9,17-18,20,26,30,32H,2,4-5,10-16,19H2,1H3/t26-/m1/s1
InChIKeyHMAJVUKNHIYKQQ-AREMUKBSSA-N
MW508.68 g/mol
LogP5.53
Rot. Bonds6

About CID 167494190

CID 167494190 (PubChem CID 167494190) has the molecular formula C29H36N2O4S and a molecular weight of 508.68 g/mol.

Molecular Properties

Compound NameCID 167494190
PubChem CID167494190
Molecular FormulaC29H36N2O4S
Molecular Weight508.68 g/mol
Exact Mass508.24
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc([C@H](O)CC2CCC2)c1
InChIInChI=1S/C29H36N2O4S/c1-36(34,35)30-23-8-9-25-24(18-23)29(14-12-28(10-11-28)13-15-29)19-31(25)27(33)22-7-3-6-21(17-22)26(32)16-20-4-2-5-20/h3,6-9,17-18,20,26,30,32H,2,4-5,10-16,19H2,1H3/t26-/m1/s1
InChIKeyHMAJVUKNHIYKQQ-AREMUKBSSA-N
XLogP5.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.68
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 167493507
CID 167493507
CID 167493685
CID 167493685
CID 167493911
CID 167493911
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
CID 167493617
CID 167493617
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680
CID 167493769
CID 167493769
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723

Frequently Asked Questions

What is the IUPAC name of CID 167494190?
The IUPAC name of CID 167494190 (CID 167494190) is not available.
What is the SMILES notation for CID 167494190?
The canonical SMILES for CID 167494190 is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc([C@H](O)CC2CCC2)c1.
What is the InChIKey of CID 167494190?
The InChIKey is HMAJVUKNHIYKQQ-AREMUKBSSA-N. The full InChI is InChI=1S/C29H36N2O4S/c1-36(34,35)30-23-8-9-25-24(18-23)29(14-12-28(10-11-28)13-15-29)19-31(25)27(33)22-7-3-6-21(17-22)26(32)16-20-4-2-5-20/h3,6-9,17-18,20,26,30,32H,2,4-5,10-16,19H2,1H3/t26-/m1/s1.
What are the key properties of CID 167494190?
CID 167494190 has a molecular weight of 508.68 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167494190 is sourced from PubChem (CID 167494190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).