N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide

C23H28N4O3S — CID 90556149

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1C
InChIInChI=1S/C23H28N4O3S/c1-3-30-23-12-11-20(14-17(23)2)31(28,29)25-16-18-15-22(21-10-6-7-13-24-21)27(26-18)19-8-4-5-9-19/h6-7,10-15,19,25H,3-5,8-9,16H2,1-2H3
InChIKeyAJEPXMNWVIDIMT-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.25
Rot. Bonds8

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 90556149) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID90556149
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1C
InChIInChI=1S/C23H28N4O3S/c1-3-30-23-12-11-20(14-17(23)2)31(28,29)25-16-18-15-22(21-10-6-7-13-24-21)27(26-18)19-8-4-5-9-19/h6-7,10-15,19,25H,3-5,8-9,16H2,1-2H3
InChIKeyAJEPXMNWVIDIMT-UHFFFAOYSA-N
XLogP4.25
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
CID 90556123
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
CID 90556139
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 90556104
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
CID 90555482
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 90555944
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide (CID 90556149) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1C.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is AJEPXMNWVIDIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-30-23-12-11-20(14-17(23)2)31(28,29)25-16-18-15-22(21-10-6-7-13-24-21)27(26-18)19-8-4-5-9-19/h6-7,10-15,19,25H,3-5,8-9,16H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 440.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 90556149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).