CID 11124300

C23H24NO4S — CID 11124300

IUPAC—
SMILESCC(=O)O[C@@H](c1ccccc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C23H24NO4S/c1-16-12-14-20(15-13-16)29(26,27)24-22(19-9-5-6-10-19)23(28-18(3)25)21-11-7-4-8-17(21)2/h4-15,22-24H,1-3H3/t22-,23+/m1/s1
InChIKeyRYJRFALQDMCCBL-PKTZIBPZSA-N
MW410.52 g/mol
LogP3.66
Rot. Bonds7

About CID 11124300

CID 11124300 (PubChem CID 11124300) has the molecular formula C23H24NO4S and a molecular weight of 410.52 g/mol.

Molecular Properties

Compound NameCID 11124300
PubChem CID11124300
Molecular FormulaC23H24NO4S
Molecular Weight410.52 g/mol
Exact Mass410.14
IUPAC Name—
SMILESCC(=O)O[C@@H](c1ccccc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C23H24NO4S/c1-16-12-14-20(15-13-16)29(26,27)24-22(19-9-5-6-10-19)23(28-18(3)25)21-11-7-4-8-17(21)2/h4-15,22-24H,1-3H3/t22-,23+/m1/s1
InChIKeyRYJRFALQDMCCBL-PKTZIBPZSA-N
XLogP3.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-(2-hydroxyphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanoate
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N-[cyano-(2-methylphenyl)methyl]-4-methylbenzenesulfonamide
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diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
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(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
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[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
CID 54578575
[(1S)-1-[(2S,3S)-3-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]oxiran-2-yl]ethyl] acetate
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[(1R)-1-(2-methylphenyl)ethyl] acetate
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[(1S)-1-(2-methylphenyl)ethyl] acetate
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Frequently Asked Questions

What is the IUPAC name of CID 11124300?
The IUPAC name of CID 11124300 (CID 11124300) is not available.
What is the SMILES notation for CID 11124300?
The canonical SMILES for CID 11124300 is CC(=O)O[C@@H](c1ccccc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11124300?
The InChIKey is RYJRFALQDMCCBL-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H24NO4S/c1-16-12-14-20(15-13-16)29(26,27)24-22(19-9-5-6-10-19)23(28-18(3)25)21-11-7-4-8-17(21)2/h4-15,22-24H,1-3H3/t22-,23+/m1/s1.
What are the key properties of CID 11124300?
CID 11124300 has a molecular weight of 410.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11124300 is sourced from PubChem (CID 11124300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).