N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide

C23H29N3O2S — CID 171315030

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C23H29N3O2S/c1-5-26-20(4)22(16-24-26)17-25(14-13-21-9-7-6-8-10-21)29(27,28)23-12-11-18(2)15-19(23)3/h6-12,15-16H,5,13-14,17H2,1-4H3
InChIKeyDGCZWMAQZUUBEX-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.26
Rot. Bonds8

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 171315030) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID171315030
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C23H29N3O2S/c1-5-26-20(4)22(16-24-26)17-25(14-13-21-9-7-6-8-10-21)29(27,28)23-12-11-18(2)15-19(23)3/h6-12,15-16H,5,13-14,17H2,1-4H3
InChIKeyDGCZWMAQZUUBEX-UHFFFAOYSA-N
XLogP4.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)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-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 29089808
2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 50788654
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
CID 22204120
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 171315030) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide is CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is DGCZWMAQZUUBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-5-26-20(4)22(16-24-26)17-25(14-13-21-9-7-6-8-10-21)29(27,28)23-12-11-18(2)15-19(23)3/h6-12,15-16H,5,13-14,17H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 171315030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).