2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide

C29H31N5O5S — CID 4027759

IUPAC2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H31N5O5S/c1-21-9-13-25(14-10-21)34-28(19-27(32-34)23-7-5-4-6-8-23)31-29(36)20-33(17-18-39-3)40(37,38)26-15-11-24(12-16-26)30-22(2)35/h4-16,19H,17-18,20H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyMDBKCHLVMPBKTP-UHFFFAOYSA-N
MW561.66 g/mol
LogP4.08
Rot. Bonds11

About 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide

2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 4027759) has the molecular formula C29H31N5O5S and a molecular weight of 561.66 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID4027759
Molecular FormulaC29H31N5O5S
Molecular Weight561.66 g/mol
Exact Mass561.20
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H31N5O5S/c1-21-9-13-25(14-10-21)34-28(19-27(32-34)23-7-5-4-6-8-23)31-29(36)20-33(17-18-39-3)40(37,38)26-15-11-24(12-16-26)30-22(2)35/h4-16,19H,17-18,20H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyMDBKCHLVMPBKTP-UHFFFAOYSA-N
XLogP4.08
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-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-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide
CID 4238725
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(4-methoxyphenyl)sulfonyl-pentylamino]acetamide
CID 3993439
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3311141
2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5141768
2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 42741118
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 42658238
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 3374831
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 3213071
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide (CID 4027759) is 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide is COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is MDBKCHLVMPBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O5S/c1-21-9-13-25(14-10-21)34-28(19-27(32-34)23-7-5-4-6-8-23)31-29(36)20-33(17-18-39-3)40(37,38)26-15-11-24(12-16-26)30-22(2)35/h4-16,19H,17-18,20H2,1-3H3,(H,30,35)(H,31,36).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 561.66 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 4027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).