CID 167494089

C28H34N2O3S — CID 167494089

IUPAC—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCC2(C)C)c1
InChIInChI=1S/C28H34N2O3S/c1-20-7-8-24-23(17-20)28(13-11-27(9-10-27)12-14-28)19-29(24)25(31)21-5-4-6-22(18-21)34(32,33)30-16-15-26(30,2)3/h4-8,17-18H,9-16,19H2,1-3H3
InChIKeyVBLCNTGRWNEMCD-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.42
Rot. Bonds3

About CID 167494089

CID 167494089 (PubChem CID 167494089) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol.

Molecular Properties

Compound NameCID 167494089
PubChem CID167494089
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC Name—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCC2(C)C)c1
InChIInChI=1S/C28H34N2O3S/c1-20-7-8-24-23(17-20)28(13-11-27(9-10-27)12-14-28)19-29(24)25(31)21-5-4-6-22(18-21)34(32,33)30-16-15-26(30,2)3/h4-8,17-18H,9-16,19H2,1-3H3
InChIKeyVBLCNTGRWNEMCD-UHFFFAOYSA-N
XLogP5.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 167493928
CID 167493928
CID 167493672
CID 167493672
(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167493963
CID 167493484
CID 167493484
CID 167493685
CID 167493685
CID 167493625
CID 167493625
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 168726712
CID 168726712
N-(3-methyloxetan-3-yl)-3-(5$#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 167493724
CID 167493724

Frequently Asked Questions

What is the IUPAC name of CID 167494089?
The IUPAC name of CID 167494089 (CID 167494089) is not available.
What is the SMILES notation for CID 167494089?
The canonical SMILES for CID 167494089 is Cc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCC2(C)C)c1.
What is the InChIKey of CID 167494089?
The InChIKey is VBLCNTGRWNEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-20-7-8-24-23(17-20)28(13-11-27(9-10-27)12-14-28)19-29(24)25(31)21-5-4-6-22(18-21)34(32,33)30-16-15-26(30,2)3/h4-8,17-18H,9-16,19H2,1-3H3.
What are the key properties of CID 167494089?
CID 167494089 has a molecular weight of 478.66 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167494089 is sourced from PubChem (CID 167494089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).