CID 155694070

C24H22FN2OS — CID 155694070

IUPAC—
SMILES[CH2]c1ccccc1CCC(=S)Nc1cc(C(=O)Nc2cccc(F)c2)ccc1C
InChIInChI=1S/C24H22FN2OS/c1-16-6-3-4-7-18(16)12-13-23(29)27-22-14-19(11-10-17(22)2)24(28)26-21-9-5-8-20(25)15-21/h3-11,14-15H,1,12-13H2,2H3,(H,26,28)(H,27,29)
InChIKeyUJRUYXYSDUJNQX-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.94
Rot. Bonds6

About CID 155694070

CID 155694070 (PubChem CID 155694070) has the molecular formula C24H22FN2OS and a molecular weight of 405.52 g/mol.

Molecular Properties

Compound NameCID 155694070
PubChem CID155694070
Molecular FormulaC24H22FN2OS
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name—
SMILES[CH2]c1ccccc1CCC(=S)Nc1cc(C(=O)Nc2cccc(F)c2)ccc1C
InChIInChI=1S/C24H22FN2OS/c1-16-6-3-4-7-18(16)12-13-23(29)27-22-14-19(11-10-17(22)2)24(28)26-21-9-5-8-20(25)15-21/h3-11,14-15H,1,12-13H2,2H3,(H,26,28)(H,27,29)
InChIKeyUJRUYXYSDUJNQX-UHFFFAOYSA-N
XLogP5.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
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3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900

Frequently Asked Questions

What is the IUPAC name of CID 155694070?
The IUPAC name of CID 155694070 (CID 155694070) is not available.
What is the SMILES notation for CID 155694070?
The canonical SMILES for CID 155694070 is [CH2]c1ccccc1CCC(=S)Nc1cc(C(=O)Nc2cccc(F)c2)ccc1C.
What is the InChIKey of CID 155694070?
The InChIKey is UJRUYXYSDUJNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN2OS/c1-16-6-3-4-7-18(16)12-13-23(29)27-22-14-19(11-10-17(22)2)24(28)26-21-9-5-8-20(25)15-21/h3-11,14-15H,1,12-13H2,2H3,(H,26,28)(H,27,29).
What are the key properties of CID 155694070?
CID 155694070 has a molecular weight of 405.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155694070 is sourced from PubChem (CID 155694070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).