1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea

C27H24N4O3S2 — CID 118715484

IUPAC1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea
SMILESCc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1
InChIInChI=1S/C27H24N4O3S2/c1-19-8-5-6-11-23(19)28-27(32)30-36(33,34)22-15-13-21(14-16-22)31-25(20-9-3-2-4-10-20)18-24(29-31)26-12-7-17-35-26/h2-17,25H,18H2,1H3,(H2,28,30,32)
InChIKeyBEJJNHLQOYXHAQ-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.92
Rot. Bonds6

About 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea

1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea (PubChem CID 118715484) has the molecular formula C27H24N4O3S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea
PubChem CID118715484
Molecular FormulaC27H24N4O3S2
Molecular Weight516.65 g/mol
Exact Mass516.13
IUPAC Name1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea
SMILESCc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1
InChIInChI=1S/C27H24N4O3S2/c1-19-8-5-6-11-23(19)28-27(32)30-36(33,34)22-15-13-21(14-16-22)31-25(20-9-3-2-4-10-20)18-24(29-31)26-12-7-17-35-26/h2-17,25H,18H2,1H3,(H2,28,30,32)
InChIKeyBEJJNHLQOYXHAQ-UHFFFAOYSA-N
XLogP5.92
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea 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-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea?
The IUPAC name of 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea (CID 118715484) is 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea?
The canonical SMILES for 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea is Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea?
The InChIKey is BEJJNHLQOYXHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S2/c1-19-8-5-6-11-23(19)28-27(32)30-36(33,34)22-15-13-21(14-16-22)31-25(20-9-3-2-4-10-20)18-24(29-31)26-12-7-17-35-26/h2-17,25H,18H2,1H3,(H2,28,30,32).
What are the key properties of 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea?
1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea has a molecular weight of 516.65 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea is sourced from PubChem (CID 118715484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).