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

C20H22N4O4S — CID 2812477

IUPAC1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H22N4O4S/c1-13-10-11-16(29(26,27)24(3)4)12-17(13)21-20(25)22-18-14(2)28-23-19(18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H2,21,22,25)
InChIKeyOEWPYWFPYAEABS-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.85
Rot. Bonds5

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

1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (PubChem CID 2812477) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
PubChem CID2812477
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H22N4O4S/c1-13-10-11-16(29(26,27)24(3)4)12-17(13)21-20(25)22-18-14(2)28-23-19(18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H2,21,22,25)
InChIKeyOEWPYWFPYAEABS-UHFFFAOYSA-N
XLogP3.85
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
CID 2813151
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (CID 2812477) is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1c(-c2ccccc2)noc1C.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The InChIKey is OEWPYWFPYAEABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-10-11-16(29(26,27)24(3)4)12-17(13)21-20(25)22-18-14(2)28-23-19(18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H2,21,22,25).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea has a molecular weight of 414.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 2812477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).