2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide

C38H30Cl2N4O4S — CID 87417741

IUPAC2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
SMILESCc1ccc(OC(C(=O)Nc2ccccn2)(c2ccc(Cl)cc2)C(Oc2ccc(C)cc2)(C(=O)Nc2nccs2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C38H30Cl2N4O4S/c1-25-6-18-31(19-7-25)47-37(27-10-14-29(39)15-11-27,34(45)43-33-5-3-4-22-41-33)38(28-12-16-30(40)17-13-28,35(46)44-36-42-23-24-49-36)48-32-20-8-26(2)9-21-32/h3-24H,1-2H3,(H,41,43,45)(H,42,44,46)
InChIKeyRFGOFSAAJVYFAZ-UHFFFAOYSA-N
MW709.66 g/mol
LogP8.99
Rot. Bonds11

About 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide

2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide (PubChem CID 87417741) has the molecular formula C38H30Cl2N4O4S and a molecular weight of 709.66 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
PubChem CID87417741
Molecular FormulaC38H30Cl2N4O4S
Molecular Weight709.66 g/mol
Exact Mass708.14
IUPAC Name2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
SMILESCc1ccc(OC(C(=O)Nc2ccccn2)(c2ccc(Cl)cc2)C(Oc2ccc(C)cc2)(C(=O)Nc2nccs2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C38H30Cl2N4O4S/c1-25-6-18-31(19-7-25)47-37(27-10-14-29(39)15-11-27,34(45)43-33-5-3-4-22-41-33)38(28-12-16-30(40)17-13-28,35(46)44-36-42-23-24-49-36)48-32-20-8-26(2)9-21-32/h3-24H,1-2H3,(H,41,43,45)(H,42,44,46)
InChIKeyRFGOFSAAJVYFAZ-UHFFFAOYSA-N
XLogP8.99
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.66
LogP ≤ 58.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide (CID 87417741) is 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide is Cc1ccc(OC(C(=O)Nc2ccccn2)(c2ccc(Cl)cc2)C(Oc2ccc(C)cc2)(C(=O)Nc2nccs2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is RFGOFSAAJVYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Cl2N4O4S/c1-25-6-18-31(19-7-25)47-37(27-10-14-29(39)15-11-27,34(45)43-33-5-3-4-22-41-33)38(28-12-16-30(40)17-13-28,35(46)44-36-42-23-24-49-36)48-32-20-8-26(2)9-21-32/h3-24H,1-2H3,(H,41,43,45)(H,42,44,46).
What are the key properties of 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide?
2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 709.66 g/mol, XLogP of 8.99, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 87417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).