N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide

C20H25N3O3S — CID 147824215

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
SMILESCC(C)n1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C20H25N3O3S/c1-13(2)23-10-9-19(22-23)27(25,26)12-18(24)21-20-16-7-3-5-14(16)11-15-6-4-8-17(15)20/h9-11,13H,3-8,12H2,1-2H3,(H,21,24)
InChIKeyHPUYJJKYYRJXNR-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.85
Rot. Bonds5

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide (PubChem CID 147824215) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
PubChem CID147824215
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
SMILESCC(C)n1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C20H25N3O3S/c1-13(2)23-10-9-19(22-23)27(25,26)12-18(24)21-20-16-7-3-5-14(16)11-15-6-4-8-17(15)20/h9-11,13H,3-8,12H2,1-2H3,(H,21,24)
InChIKeyHPUYJJKYYRJXNR-UHFFFAOYSA-N
XLogP2.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 142587969
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
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2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
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2-[4-(2-aminoethyl)phenyl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
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1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
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CID 175825031
CID 175825031
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146612068
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 165111153

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide (CID 147824215) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide is CC(C)n1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide?
The InChIKey is HPUYJJKYYRJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(2)23-10-9-19(22-23)27(25,26)12-18(24)21-20-16-7-3-5-14(16)11-15-6-4-8-17(15)20/h9-11,13H,3-8,12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide has a molecular weight of 387.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide is sourced from PubChem (CID 147824215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).