1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea

C21H23N3O5S — CID 47033403

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H23N3O5S/c1-13(20-11-14-5-3-4-6-18(14)29-20)22-21(25)23-17-12-16(9-10-19(17)28-2)30(26,27)24-15-7-8-15/h3-6,9-13,15,24H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyUSGQALWKOYODFS-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.76
Rot. Bonds7

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea (PubChem CID 47033403) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea
PubChem CID47033403
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H23N3O5S/c1-13(20-11-14-5-3-4-6-18(14)29-20)22-21(25)23-17-12-16(9-10-19(17)28-2)30(26,27)24-15-7-8-15/h3-6,9-13,15,24H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyUSGQALWKOYODFS-UHFFFAOYSA-N
XLogP3.76
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea (CID 47033403) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea?
The InChIKey is USGQALWKOYODFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-13(20-11-14-5-3-4-6-18(14)29-20)22-21(25)23-17-12-16(9-10-19(17)28-2)30(26,27)24-15-7-8-15/h3-6,9-13,15,24H,7-8H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea has a molecular weight of 429.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]urea is sourced from PubChem (CID 47033403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).