7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C22H22N2O4S — CID 135631778

IUPAC7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22N2O4S/c1-29-18-8-5-15(6-9-18)24-22-19(21(26)23-13-17-3-2-10-27-17)11-14-4-7-16(25)12-20(14)28-22/h4-9,11-12,17,25H,2-3,10,13H2,1H3,(H,23,26)/b24-22-
InChIKeyDHCAULWDPYWXRI-GYHWCHFESA-N
MW410.50 g/mol
LogP4.00
Rot. Bonds5

About 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 135631778) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID135631778
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22N2O4S/c1-29-18-8-5-15(6-9-18)24-22-19(21(26)23-13-17-3-2-10-27-17)11-14-4-7-16(25)12-20(14)28-22/h4-9,11-12,17,25H,2-3,10,13H2,1H3,(H,23,26)/b24-22-
InChIKeyDHCAULWDPYWXRI-GYHWCHFESA-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

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Related Compounds

7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
6-bromo-2-(4-methylsulfanylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184855
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
6-bromo-2-(4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184750
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 135631778) is 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is DHCAULWDPYWXRI-GYHWCHFESA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-29-18-8-5-15(6-9-18)24-22-19(21(26)23-13-17-3-2-10-27-17)11-14-4-7-16(25)12-20(14)28-22/h4-9,11-12,17,25H,2-3,10,13H2,1H3,(H,23,26)/b24-22-.
What are the key properties of 7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)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-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 135631778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).