4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide

C19H18N2O4S — CID 71583103

IUPAC4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1
InChIInChI=1S/C19H18N2O4S/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-26(24,25)10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22)
InChIKeyJTWSNIOCMRULQH-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.28
Rot. Bonds3

About 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide

4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide (PubChem CID 71583103) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
PubChem CID71583103
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1
InChIInChI=1S/C19H18N2O4S/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-26(24,25)10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22)
InChIKeyJTWSNIOCMRULQH-UHFFFAOYSA-N
XLogP2.28
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide (CID 71583103) is 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1.
What is the InChIKey of 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The InChIKey is JTWSNIOCMRULQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-26(24,25)10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22).
What are the key properties of 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71583103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).