N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C24H27N3O2S2 — CID 55505673

IUPACN-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C24H27N3O2S2/c1-18-25-20(16-30-18)17-31-23-6-4-3-5-22(23)24(28)26(2)15-19-7-9-21(10-8-19)27-11-13-29-14-12-27/h3-10,16H,11-15,17H2,1-2H3
InChIKeyNREXAWPFWDRYEO-UHFFFAOYSA-N
MW453.63 g/mol
LogP4.85
Rot. Bonds7

About N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 55505673) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID55505673
Molecular FormulaC24H27N3O2S2
Molecular Weight453.63 g/mol
Exact Mass453.15
IUPAC NameN-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C24H27N3O2S2/c1-18-25-20(16-30-18)17-31-23-6-4-3-5-22(23)24(28)26(2)15-19-7-9-21(10-8-19)27-11-13-29-14-12-27/h3-10,16H,11-15,17H2,1-2H3
InChIKeyNREXAWPFWDRYEO-UHFFFAOYSA-N
XLogP4.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 55505673) is N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is Cc1nc(CSc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1.
What is the InChIKey of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is NREXAWPFWDRYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-18-25-20(16-30-18)17-31-23-6-4-3-5-22(23)24(28)26(2)15-19-7-9-21(10-8-19)27-11-13-29-14-12-27/h3-10,16H,11-15,17H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 453.63 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55505673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).