N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide

C23H17ClN2O2S — CID 51367296

IUPACN-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O2S/c1-29-19-7-4-6-18(14-19)26-23-20(13-15-5-2-3-8-21(15)28-23)22(27)25-17-11-9-16(24)10-12-17/h2-14H,1H3,(H,25,27)/b26-23-
InChIKeyIPTSTTCDHXBDHX-RWEWTDSWSA-N
MW420.92 g/mol
LogP6.29
Rot. Bonds4

About N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide

N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide (PubChem CID 51367296) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
PubChem CID51367296
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC NameN-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O2S/c1-29-19-7-4-6-18(14-19)26-23-20(13-15-5-2-3-8-21(15)28-23)22(27)25-17-11-9-16(24)10-12-17/h2-14H,1H3,(H,25,27)/b26-23-
InChIKeyIPTSTTCDHXBDHX-RWEWTDSWSA-N
XLogP6.29
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367773
2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide (CID 51367296) is N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide is CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The InChIKey is IPTSTTCDHXBDHX-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c1-29-19-7-4-6-18(14-19)26-23-20(13-15-5-2-3-8-21(15)28-23)22(27)25-17-11-9-16(24)10-12-17/h2-14H,1H3,(H,25,27)/b26-23-.
What are the key properties of N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).