N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C18H17N3O2S — CID 3513432

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-12-6-2-3-7-13(12)10-24-11-16(22)20-21-17-14-8-4-5-9-15(14)19-18(17)23/h2-9,19,23H,10-11H2,1H3/b21-20+
InChIKeyRTGKYCNKQMELJN-QZQOTICOSA-N
MW339.42 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 3513432) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID3513432
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-12-6-2-3-7-13(12)10-24-11-16(22)20-21-17-14-8-4-5-9-15(14)19-18(17)23/h2-9,19,23H,10-11H2,1H3/b21-20+
InChIKeyRTGKYCNKQMELJN-QZQOTICOSA-N
XLogP4.73
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 3513432) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is RTGKYCNKQMELJN-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-2-3-7-13(12)10-24-11-16(22)20-21-17-14-8-4-5-9-15(14)19-18(17)23/h2-9,19,23H,10-11H2,1H3/b21-20+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3513432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).