N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide

C16H14N2O2S — CID 90714673

IUPACN-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccccc3S)c2c1
InChIInChI=1S/C16H14N2O2S/c19-16(17-20)12-6-5-11-7-8-18(14(11)9-12)10-13-3-1-2-4-15(13)21/h1-9,20-21H,10H2,(H,17,19)
InChIKeyTUCZIZRSFZJMES-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.10
Rot. Bonds3

About N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide

N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide (PubChem CID 90714673) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide
PubChem CID90714673
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccccc3S)c2c1
InChIInChI=1S/C16H14N2O2S/c19-16(17-20)12-6-5-11-7-8-18(14(11)9-12)10-13-3-1-2-4-15(13)21/h1-9,20-21H,10H2,(H,17,19)
InChIKeyTUCZIZRSFZJMES-UHFFFAOYSA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-1-[(3-sulfanylphenyl)methyl]indole-6-carboxamide
CID 90934184
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
[4-[[6-(hydroxycarbamoyl)indol-1-yl]methyl]phenyl] cyanate
CID 156547425
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
CID 45276554
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-6-carboximidamide
CID 107917634
1-[(2-chlorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87265967
1-[(2-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266262
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
1-[(2-chlorophenyl)methyl]indole-6-carbothioamide
CID 107917358
(2S)-2-[(1-benzylindole-6-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91640647
2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413145
2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
CID 115465575

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide (CID 90714673) is N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide is O=C(NO)c1ccc2ccn(Cc3ccccc3S)c2c1.
What is the InChIKey of N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide?
The InChIKey is TUCZIZRSFZJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(17-20)12-6-5-11-7-8-18(14(11)9-12)10-13-3-1-2-4-15(13)21/h1-9,20-21H,10H2,(H,17,19).
What are the key properties of N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide?
N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 90714673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).