4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide

C16H11NO3S — CID 155566561

IUPAC4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO3S/c18-15-12-3-1-2-4-14(12)20-9-13(15)16(19)17-10-5-7-11(21)8-6-10/h1-9,21H,(H,17,19)
InChIKeyAPLHCZXTJFULOU-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.33
Rot. Bonds2

About 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide

4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide (PubChem CID 155566561) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
PubChem CID155566561
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO3S/c18-15-12-3-1-2-4-14(12)20-9-13(15)16(19)17-10-5-7-11(21)8-6-10/h1-9,21H,(H,17,19)
InChIKeyAPLHCZXTJFULOU-UHFFFAOYSA-N
XLogP3.33
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
CID 2892917
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide?
The IUPAC name of 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide (CID 155566561) is 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide is O=C(Nc1ccc(S)cc1)c1coc2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide?
The InChIKey is APLHCZXTJFULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-15-12-3-1-2-4-14(12)20-9-13(15)16(19)17-10-5-7-11(21)8-6-10/h1-9,21H,(H,17,19).
What are the key properties of 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide?
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 155566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).