1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide

C23H28N4O3S — CID 78872572

IUPAC1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O3S/c1-4-21-20(15-25-27(21)16-19-8-6-5-7-9-19)23(28)24-12-13-26-31(29,30)22-14-17(2)10-11-18(22)3/h5-11,14-15,26H,4,12-13,16H2,1-3H3,(H,24,28)
InChIKeyVQVFHIYQIRPMSK-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.82
Rot. Bonds9

About 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78872572) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78872572
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O3S/c1-4-21-20(15-25-27(21)16-19-8-6-5-7-9-19)23(28)24-12-13-26-31(29,30)22-14-17(2)10-11-18(22)3/h5-11,14-15,26H,4,12-13,16H2,1-3H3,(H,24,28)
InChIKeyVQVFHIYQIRPMSK-UHFFFAOYSA-N
XLogP2.82
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
CID 78872517
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 38496686

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide (CID 78872572) is 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is VQVFHIYQIRPMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-21-20(15-25-27(21)16-19-8-6-5-7-9-19)23(28)24-12-13-26-31(29,30)22-14-17(2)10-11-18(22)3/h5-11,14-15,26H,4,12-13,16H2,1-3H3,(H,24,28).
What are the key properties of 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78872572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).