2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide

C25H31BrN4O4S — CID 42658238

IUPAC2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C25H31BrN4O4S/c1-18-8-6-7-9-21(18)30-23(16-22(28-30)25(2,3)4)27-24(31)17-29(14-15-34-5)35(32,33)20-12-10-19(26)11-13-20/h6-13,16H,14-15,17H2,1-5H3,(H,27,31)
InChIKeyWHIUDTPTUAPFCC-UHFFFAOYSA-N
MW563.52 g/mol
LogP4.52
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide

2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 42658238) has the molecular formula C25H31BrN4O4S and a molecular weight of 563.52 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
PubChem CID42658238
Molecular FormulaC25H31BrN4O4S
Molecular Weight563.52 g/mol
Exact Mass562.12
IUPAC Name2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C25H31BrN4O4S/c1-18-8-6-7-9-21(18)30-23(16-22(28-30)25(2,3)4)27-24(31)17-29(14-15-34-5)35(32,33)20-12-10-19(26)11-13-20/h6-13,16H,14-15,17H2,1-5H3,(H,27,31)
InChIKeyWHIUDTPTUAPFCC-UHFFFAOYSA-N
XLogP4.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]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-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]acetamide
CID 3887743
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3311141
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42735519
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]acetamide
CID 4036978
2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42735625
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenoxyacetyl)amino]acetamide
CID 42735531
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 3993545
4-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3256656
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 3984227
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4268503
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 4650661
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 42735621

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide (CID 42658238) is 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is WHIUDTPTUAPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN4O4S/c1-18-8-6-7-9-21(18)30-23(16-22(28-30)25(2,3)4)27-24(31)17-29(14-15-34-5)35(32,33)20-12-10-19(26)11-13-20/h6-13,16H,14-15,17H2,1-5H3,(H,27,31).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide?
2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 563.52 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 42658238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).