4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

C25H28N4O2S2 — CID 67173092

IUPAC4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H28N4O2S2/c1-4-5-7-19-9-15-22(16-10-19)33(30,31)27-25-18-23(24-8-6-17-32-24)26-29(25)21-13-11-20(12-14-21)28(2)3/h6,8-18,27H,4-5,7H2,1-3H3
InChIKeyHBYSSCKKVGEVAI-UHFFFAOYSA-N
MW480.66 g/mol
LogP5.81
Rot. Bonds9

About 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 67173092) has the molecular formula C25H28N4O2S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID67173092
Molecular FormulaC25H28N4O2S2
Molecular Weight480.66 g/mol
Exact Mass480.17
IUPAC Name4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H28N4O2S2/c1-4-5-7-19-9-15-22(16-10-19)33(30,31)27-25-18-23(24-8-6-17-32-24)26-29(25)21-13-11-20(12-14-21)28(2)3/h6,8-18,27H,4-5,7H2,1-3H3
InChIKeyHBYSSCKKVGEVAI-UHFFFAOYSA-N
XLogP5.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide 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

4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 67174375
5-[(4-butylphenyl)sulfonylmethyl]-1-methyl-3-thiophen-2-ylpyrazole
CID 158457104
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide
CID 67174049
[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
CID 67173775
[4-[5-[(4-butylphenyl)sulfonylamino]-1-(2-methylphenyl)pyrazol-3-yl]phenyl] acetate
CID 67174220
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554365
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 67173092) is 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is HBYSSCKKVGEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S2/c1-4-5-7-19-9-15-22(16-10-19)33(30,31)27-25-18-23(24-8-6-17-32-24)26-29(25)21-13-11-20(12-14-21)28(2)3/h6,8-18,27H,4-5,7H2,1-3H3.
What are the key properties of 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 480.66 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).