2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide

C23H32ClN3O5S — CID 147185007

IUPAC2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(Cl)cc2C(C)C)cc1C1(OC)COC1
InChIInChI=1S/C23H32ClN3O5S/c1-7-27-20(23(31-6)12-32-13-23)11-22(25-27)33(29,30)26-21(28)10-19-17(14(2)3)8-16(24)9-18(19)15(4)5/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,26,28)
InChIKeyCAHNQMGAWRHRMB-UHFFFAOYSA-N
MW498.05 g/mol
LogP3.72
Rot. Bonds9

About 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide

2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide (PubChem CID 147185007) has the molecular formula C23H32ClN3O5S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide
PubChem CID147185007
Molecular FormulaC23H32ClN3O5S
Molecular Weight498.05 g/mol
Exact Mass497.18
IUPAC Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(Cl)cc2C(C)C)cc1C1(OC)COC1
InChIInChI=1S/C23H32ClN3O5S/c1-7-27-20(23(31-6)12-32-13-23)11-22(25-27)33(29,30)26-21(28)10-19-17(14(2)3)8-16(24)9-18(19)15(4)5/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,26,28)
InChIKeyCAHNQMGAWRHRMB-UHFFFAOYSA-N
XLogP3.72
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 158587199
1-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154697945
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfinylacetamide
CID 153337632
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetic acid;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(3-methoxyoxetan-3-yl)-2-propan-2-yltriazol-1-ium-4-yl]sulfonylacetamide;methane;1-(3-methoxyoxetan-3-yl)-2-propan-2-yltriazol-1-ium-4-sulfonamide
CID 158179477
2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide
CID 155761072
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 153119315
2-[4-(3,4-dihydro-1H-isochromen-7-yl)-2,6-di(propan-2-yl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylsulfonyl)acetamide
CID 166008209
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea
CID 162040617
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(6-morpholin-4-ylpyrazin-2-yl)sulfonylurea
CID 137404286
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122499872
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one
CID 158510373
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 165169361

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide?
The IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide (CID 147185007) is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide.
What is the SMILES notation for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide?
The canonical SMILES for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide is CCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(Cl)cc2C(C)C)cc1C1(OC)COC1.
What is the InChIKey of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide?
The InChIKey is CAHNQMGAWRHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O5S/c1-7-27-20(23(31-6)12-32-13-23)11-22(25-27)33(29,30)26-21(28)10-19-17(14(2)3)8-16(24)9-18(19)15(4)5/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,26,28).
What are the key properties of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide?
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide has a molecular weight of 498.05 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 147185007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).