N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C22H25N3O3S2 — CID 24503840

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-4-25(5-2)30(27,28)19-13-11-17(12-14-19)15-23-22(26)21-20(24-16(3)29-21)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyMNQPFQLGBMPVIQ-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.08
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24503840) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24503840
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-4-25(5-2)30(27,28)19-13-11-17(12-14-19)15-23-22(26)21-20(24-16(3)29-21)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyMNQPFQLGBMPVIQ-UHFFFAOYSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 24645771
1-[(4-fluorophenyl)methyl]-3-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8943086
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 24503840) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MNQPFQLGBMPVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-4-25(5-2)30(27,28)19-13-11-17(12-14-19)15-23-22(26)21-20(24-16(3)29-21)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3,(H,23,26).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24503840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).