1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea

C18H17N3O4S — CID 44569905

IUPAC1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea
SMILESCc1oc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
InChIKeyJEDVSDCPSTXRCB-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.03
Rot. Bonds5

About 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea

1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea (PubChem CID 44569905) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea
PubChem CID44569905
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea
SMILESCc1oc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
InChIKeyJEDVSDCPSTXRCB-UHFFFAOYSA-N
XLogP4.03
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea?
The IUPAC name of 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea (CID 44569905) is 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea?
The canonical SMILES for 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea is Cc1oc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea?
The InChIKey is JEDVSDCPSTXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22).
What are the key properties of 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea?
1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea has a molecular weight of 371.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(phenylsulfamoyl)furan-3-yl]-3-phenylurea is sourced from PubChem (CID 44569905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).