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

C16H23N5O4S — CID 47745684

IUPAC1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)no1
InChIInChI=1S/C16H23N5O4S/c1-11-8-12(19-25-11)10-17-16(22)18-14-9-13(26(23,24)21(4)5)6-7-15(14)20(2)3/h6-9H,10H2,1-5H3,(H2,17,18,22)
InChIKeyQMGKWTUKCIMOCM-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.62
Rot. Bonds6

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

1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47745684) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47745684
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)no1
InChIInChI=1S/C16H23N5O4S/c1-11-8-12(19-25-11)10-17-16(22)18-14-9-13(26(23,24)21(4)5)6-7-15(14)20(2)3/h6-9H,10H2,1-5H3,(H2,17,18,22)
InChIKeyQMGKWTUKCIMOCM-UHFFFAOYSA-N
XLogP1.62
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-2-methylsulfonylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47749223
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 95781104
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689777
(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 31893838
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31893771
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33080098
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47745684) is 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)no1.
What is the InChIKey of 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is QMGKWTUKCIMOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-11-8-12(19-25-11)10-17-16(22)18-14-9-13(26(23,24)21(4)5)6-7-15(14)20(2)3/h6-9H,10H2,1-5H3,(H2,17,18,22).
What are the key properties of 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 381.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47745684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).