7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C22H22N2O4S — CID 136777779

IUPAC7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H22N2O4S/c1-29-18-6-2-4-15(11-18)24-22-19(21(26)23-13-17-5-3-9-27-17)10-14-7-8-16(25)12-20(14)28-22/h2,4,6-8,10-12,17,25H,3,5,9,13H2,1H3,(H,23,26)/b24-22-/t17-/m0/s1
InChIKeyFNELPJBBILEKKW-ISWCOFGISA-N
MW410.50 g/mol
LogP4.00
Rot. Bonds5

About 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 136777779) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID136777779
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H22N2O4S/c1-29-18-6-2-4-15(11-18)24-22-19(21(26)23-13-17-5-3-9-27-17)10-14-7-8-16(25)12-20(14)28-22/h2,4,6-8,10-12,17,25H,3,5,9,13H2,1H3,(H,23,26)/b24-22-/t17-/m0/s1
InChIKeyFNELPJBBILEKKW-ISWCOFGISA-N
XLogP4.00
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide with MolForge

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Related Compounds

7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631778
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
6-bromo-2-(4-methylsulfanylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184855
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 136777779) is 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is FNELPJBBILEKKW-ISWCOFGISA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-29-18-6-2-4-15(11-18)24-22-19(21(26)23-13-17-5-3-9-27-17)10-14-7-8-16(25)12-20(14)28-22/h2,4,6-8,10-12,17,25H,3,5,9,13H2,1H3,(H,23,26)/b24-22-/t17-/m0/s1.
What are the key properties of 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 136777779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).