N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide

C20H21N3O3S2 — CID 16593120

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1csc(N(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)n1
InChIInChI=1S/C20H21N3O3S2/c1-14(2)22-28(25,26)18-11-9-16(10-12-18)19(24)23(17-7-5-4-6-8-17)20-21-15(3)13-27-20/h4-14,22H,1-3H3
InChIKeyDNDGVZBEUOMXLN-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.12
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16593120) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16593120
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1csc(N(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)n1
InChIInChI=1S/C20H21N3O3S2/c1-14(2)22-28(25,26)18-11-9-16(10-12-18)19(24)23(17-7-5-4-6-8-17)20-21-15(3)13-27-20/h4-14,22H,1-3H3
InChIKeyDNDGVZBEUOMXLN-UHFFFAOYSA-N
XLogP4.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide (CID 16593120) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide is Cc1csc(N(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is DNDGVZBEUOMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14(2)22-28(25,26)18-11-9-16(10-12-18)19(24)23(17-7-5-4-6-8-17)20-21-15(3)13-27-20/h4-14,22H,1-3H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16593120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).