1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea

C14H17N3O4S — CID 44569906

IUPAC1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea
SMILESCc1oc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
InChIKeyFTBJWHXFJGURMU-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.48
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea

1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea (PubChem CID 44569906) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea
PubChem CID44569906
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea
SMILESCc1oc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
InChIKeyFTBJWHXFJGURMU-UHFFFAOYSA-N
XLogP2.48
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea (CID 44569906) is 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea is Cc1oc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea?
The InChIKey is FTBJWHXFJGURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea?
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea has a molecular weight of 323.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-yl]-3-phenylurea is sourced from PubChem (CID 44569906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).