1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

C19H22N6O3S — CID 56519718

IUPAC1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n[nH]1
InChIInChI=1S/C19H22N6O3S/c1-13-21-18(24-23-13)15-5-4-6-16(11-15)22-19(26)20-12-14-7-9-17(10-8-14)29(27,28)25(2)3/h4-11H,12H2,1-3H3,(H2,20,22,26)(H,21,23,24)
InChIKeyPRKSQHWYJBXMPB-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.35
Rot. Bonds6

About 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 56519718) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID56519718
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n[nH]1
InChIInChI=1S/C19H22N6O3S/c1-13-21-18(24-23-13)15-5-4-6-16(11-15)22-19(26)20-12-14-7-9-17(10-8-14)29(27,28)25(2)3/h4-11H,12H2,1-3H3,(H2,20,22,26)(H,21,23,24)
InChIKeyPRKSQHWYJBXMPB-UHFFFAOYSA-N
XLogP2.35
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea 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

1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(2-phenylbutyl)urea
CID 56518950
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
1-(4-hydroxy-2-methylbutan-2-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111926300
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55825158
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (CID 56519718) is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is Cc1nc(-c2cccc(NC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n[nH]1.
What is the InChIKey of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is PRKSQHWYJBXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-13-21-18(24-23-13)15-5-4-6-16(11-15)22-19(26)20-12-14-7-9-17(10-8-14)29(27,28)25(2)3/h4-11H,12H2,1-3H3,(H2,20,22,26)(H,21,23,24).
What are the key properties of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 414.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 56519718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).