CID 167493928

C27H32N2O3S — CID 167493928

IUPAC—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C27H32N2O3S/c1-20-7-8-24-23(17-20)27(13-11-26(9-10-26)12-14-27)19-29(24)25(30)21-5-4-6-22(18-21)33(31,32)28-15-2-3-16-28/h4-8,17-18H,2-3,9-16,19H2,1H3
InChIKeyMTQIYLPLIHIGNR-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.03
Rot. Bonds3

About CID 167493928

CID 167493928 (PubChem CID 167493928) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol.

Molecular Properties

Compound NameCID 167493928
PubChem CID167493928
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C27H32N2O3S/c1-20-7-8-24-23(17-20)27(13-11-26(9-10-26)12-14-27)19-29(24)25(30)21-5-4-6-22(18-21)33(31,32)28-15-2-3-16-28/h4-8,17-18H,2-3,9-16,19H2,1H3
InChIKeyMTQIYLPLIHIGNR-UHFFFAOYSA-N
XLogP5.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167493963
CID 167493672
CID 167493672
CID 167494089
CID 167494089
CID 167493484
CID 167493484
CID 168726712
CID 168726712
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 166192011
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$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 167493911
CID 167493911
CID 167493507
CID 167493507
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174

Frequently Asked Questions

What is the IUPAC name of CID 167493928?
The IUPAC name of CID 167493928 (CID 167493928) is not available.
What is the SMILES notation for CID 167493928?
The canonical SMILES for CID 167493928 is Cc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of CID 167493928?
The InChIKey is MTQIYLPLIHIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-20-7-8-24-23(17-20)27(13-11-26(9-10-26)12-14-27)19-29(24)25(30)21-5-4-6-22(18-21)33(31,32)28-15-2-3-16-28/h4-8,17-18H,2-3,9-16,19H2,1H3.
What are the key properties of CID 167493928?
CID 167493928 has a molecular weight of 464.63 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493928 is sourced from PubChem (CID 167493928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).