3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C24H29N3O4S2 — CID 46948007

IUPAC3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(C)C)cc2)sc(=O)n1Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H29N3O4S2/c1-16(2)20-10-6-18(7-11-20)14-25-23(28)22-17(3)27(24(29)32-22)15-19-8-12-21(13-9-19)33(30,31)26(4)5/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyLEAVIELMFPNADS-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.57
Rot. Bonds8

About 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46948007) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID46948007
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC Name3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(C)C)cc2)sc(=O)n1Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H29N3O4S2/c1-16(2)20-10-6-18(7-11-20)14-25-23(28)22-17(3)27(24(29)32-22)15-19-8-12-21(13-9-19)33(30,31)26(4)5/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyLEAVIELMFPNADS-UHFFFAOYSA-N
XLogP3.57
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 46948007) is 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2ccc(C(C)C)cc2)sc(=O)n1Cc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LEAVIELMFPNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-16(2)20-10-6-18(7-11-20)14-25-23(28)22-17(3)27(24(29)32-22)15-19-8-12-21(13-9-19)33(30,31)26(4)5/h6-13,16H,14-15H2,1-5H3,(H,25,28).
What are the key properties of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46948007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).