N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide

C29H33N5O3S — CID 10119318

IUPACN-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(CCc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)[nH]n2)cc1
InChIInChI=1S/C29H33N5O3S/c1-19(2)27-15-12-24(16-20(27)3)32-29(35)22-7-5-6-21(17-22)8-9-25-18-28(34-33-25)31-23-10-13-26(14-11-23)38(36,37)30-4/h5-7,10-19,30H,8-9H2,1-4H3,(H,32,35)(H2,31,33,34)
InChIKeyMFTWIBWJFCOFFS-UHFFFAOYSA-N
MW531.68 g/mol
LogP5.53
Rot. Bonds10

About N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide

N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide (PubChem CID 10119318) has the molecular formula C29H33N5O3S and a molecular weight of 531.68 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide
PubChem CID10119318
Molecular FormulaC29H33N5O3S
Molecular Weight531.68 g/mol
Exact Mass531.23
IUPAC NameN-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(CCc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)[nH]n2)cc1
InChIInChI=1S/C29H33N5O3S/c1-19(2)27-15-12-24(16-20(27)3)32-29(35)22-7-5-6-21(17-22)8-9-25-18-28(34-33-25)31-23-10-13-26(14-11-23)38(36,37)30-4/h5-7,10-19,30H,8-9H2,1-4H3,(H,32,35)(H2,31,33,34)
InChIKeyMFTWIBWJFCOFFS-UHFFFAOYSA-N
XLogP5.53
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide 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 N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide?
The IUPAC name of N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide (CID 10119318) is N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide is CNS(=O)(=O)c1ccc(Nc2cc(CCc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)[nH]n2)cc1.
What is the InChIKey of N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide?
The InChIKey is MFTWIBWJFCOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3S/c1-19(2)27-15-12-24(16-20(27)3)32-29(35)22-7-5-6-21(17-22)8-9-25-18-28(34-33-25)31-23-10-13-26(14-11-23)38(36,37)30-4/h5-7,10-19,30H,8-9H2,1-4H3,(H,32,35)(H2,31,33,34).
What are the key properties of N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide?
N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide has a molecular weight of 531.68 g/mol, XLogP of 5.53, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-ylphenyl)-3-[2-[3-[4-(methylsulfamoyl)anilino]-1H-pyrazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 10119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).