N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C23H25FN4O3S — CID 55622247

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O3S/c1-27(32(30,31)19-12-10-18(24)11-13-19)16-23(29)26-21-8-5-9-22-20(21)14-25-28(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15-16H2,1H3,(H,26,29)
InChIKeyDWRQNRTXQQILQA-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.88
Rot. Bonds7

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 55622247) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID55622247
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O3S/c1-27(32(30,31)19-12-10-18(24)11-13-19)16-23(29)26-21-8-5-9-22-20(21)14-25-28(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15-16H2,1H3,(H,26,29)
InChIKeyDWRQNRTXQQILQA-UHFFFAOYSA-N
XLogP2.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 46416506
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55622374
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46424726
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637344
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 167879462
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 55622247) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is DWRQNRTXQQILQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-27(32(30,31)19-12-10-18(24)11-13-19)16-23(29)26-21-8-5-9-22-20(21)14-25-28(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15-16H2,1H3,(H,26,29).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 456.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 55622247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).