CID 102218446

C27H24N2O2S2 — CID 102218446

IUPAC—
SMILESCN1C(=O)[C@]2(SCCCS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O2S2/c1-28-22-14-7-5-12-20(22)26(24(28)30)27(33-17-9-16-32-26)21-13-6-8-15-23(21)29(25(27)31)18-19-10-3-2-4-11-19/h2-8,10-15H,9,16-18H2,1H3/t26-,27-/m1/s1
InChIKeyLJSHMMINVAAQGQ-KAYWLYCHSA-N
MW472.64 g/mol
LogP5.17
Rot. Bonds2

About CID 102218446

CID 102218446 (PubChem CID 102218446) has the molecular formula C27H24N2O2S2 and a molecular weight of 472.64 g/mol.

Molecular Properties

Compound NameCID 102218446
PubChem CID102218446
Molecular FormulaC27H24N2O2S2
Molecular Weight472.64 g/mol
Exact Mass472.13
IUPAC Name—
SMILESCN1C(=O)[C@]2(SCCCS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O2S2/c1-28-22-14-7-5-12-20(22)26(24(28)30)27(33-17-9-16-32-26)21-13-6-8-15-23(21)29(25(27)31)18-19-10-3-2-4-11-19/h2-8,10-15H,9,16-18H2,1H3/t26-,27-/m1/s1
InChIKeyLJSHMMINVAAQGQ-KAYWLYCHSA-N
XLogP5.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
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1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
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1-benzyl-3,3-dimethylindole-2-thione
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1''-benzyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3758975
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
CID 44654608
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1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
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1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496

Frequently Asked Questions

What is the IUPAC name of CID 102218446?
The IUPAC name of CID 102218446 (CID 102218446) is not available.
What is the SMILES notation for CID 102218446?
The canonical SMILES for CID 102218446 is CN1C(=O)[C@]2(SCCCS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)c2ccccc21.
What is the InChIKey of CID 102218446?
The InChIKey is LJSHMMINVAAQGQ-KAYWLYCHSA-N. The full InChI is InChI=1S/C27H24N2O2S2/c1-28-22-14-7-5-12-20(22)26(24(28)30)27(33-17-9-16-32-26)21-13-6-8-15-23(21)29(25(27)31)18-19-10-3-2-4-11-19/h2-8,10-15H,9,16-18H2,1H3/t26-,27-/m1/s1.
What are the key properties of CID 102218446?
CID 102218446 has a molecular weight of 472.64 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102218446 is sourced from PubChem (CID 102218446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).