CID 20615968

C9H10AuKNO3S2 — CID 20615968

IUPAC—
SMILESCC(=O)Nc1cc(C)cc(S(=O)(=O)[S-])c1.[Au+].[K]
InChIInChI=1S/C9H11NO3S2.Au.K/c1-6-3-8(10-7(2)11)5-9(4-6)15(12,13)14;;/h3-5H,1-2H3,(H,10,11)(H,12,13,14);;/q;+1;/p-1
InChIKeyAAQXWDMAORZKOQ-UHFFFAOYSA-M
MW480.38 g/mol
LogP0.81
Rot. Bonds2

About CID 20615968

CID 20615968 (PubChem CID 20615968) has the molecular formula C9H10AuKNO3S2 and a molecular weight of 480.38 g/mol.

Molecular Properties

Compound NameCID 20615968
PubChem CID20615968
Molecular FormulaC9H10AuKNO3S2
Molecular Weight480.38 g/mol
Exact Mass479.94
IUPAC Name—
SMILESCC(=O)Nc1cc(C)cc(S(=O)(=O)[S-])c1.[Au+].[K]
InChIInChI=1S/C9H11NO3S2.Au.K/c1-6-3-8(10-7(2)11)5-9(4-6)15(12,13)14;;/h3-5H,1-2H3,(H,10,11)(H,12,13,14);;/q;+1;/p-1
InChIKeyAAQXWDMAORZKOQ-UHFFFAOYSA-M
XLogP0.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 20627109
CID 20627109
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N-(3,5-diacetamidophenyl)acetamide
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N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
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N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
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N-(3-methylphenyl)acetamide
CID 10843
(3-acetamidophenyl)sulfonyl 3-acetamidobenzenesulfonate
CID 57013358
N-(4-methylphenyl)acetamide
CID 7684
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
N-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]acetamide tetrafluoroborate
CID 44888751
N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
CID 154719199

Frequently Asked Questions

What is the IUPAC name of CID 20615968?
The IUPAC name of CID 20615968 (CID 20615968) is not available.
What is the SMILES notation for CID 20615968?
The canonical SMILES for CID 20615968 is CC(=O)Nc1cc(C)cc(S(=O)(=O)[S-])c1.[Au+].[K].
What is the InChIKey of CID 20615968?
The InChIKey is AAQXWDMAORZKOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3S2.Au.K/c1-6-3-8(10-7(2)11)5-9(4-6)15(12,13)14;;/h3-5H,1-2H3,(H,10,11)(H,12,13,14);;/q;+1;/p-1.
What are the key properties of CID 20615968?
CID 20615968 has a molecular weight of 480.38 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20615968 is sourced from PubChem (CID 20615968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).