N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide

C21H23NO4S — CID 159213474

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
SMILESC=C(C)c1coc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
InChIInChI=1S/C21H23NO4S/c1-13(2)16-10-20(26-11-16)27(24,25)12-19(23)22-21-17-7-3-5-14(17)9-15-6-4-8-18(15)21/h9-11H,1,3-8,12H2,2H3,(H,22,23)
InChIKeyKQUAIMIQVRFLKF-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.70
Rot. Bonds5

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide (PubChem CID 159213474) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
PubChem CID159213474
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
SMILESC=C(C)c1coc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
InChIInChI=1S/C21H23NO4S/c1-13(2)16-10-20(26-11-16)27(24,25)12-19(23)22-21-17-7-3-5-14(17)9-15-6-4-8-18(15)21/h9-11H,1,3-8,12H2,2H3,(H,22,23)
InChIKeyKQUAIMIQVRFLKF-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-prop-1-en-2-ylfuran-2-yl)sulfanylurea
CID 166777586
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpyrimidin-2-yl)sulfonylacetamide
CID 160586912
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
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N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
CID 154997378
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 164995489
2-[4-(2-aminoethyl)phenyl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 158601454
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 147824215
1-[[4-(bromomethyl)furan-2-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 170717815
2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 160510122
CID 174088147
CID 174088147
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-[(4-nitrophenyl)sulfonylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide (CID 159213474) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide is C=C(C)c1coc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide?
The InChIKey is KQUAIMIQVRFLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-13(2)16-10-20(26-11-16)27(24,25)12-19(23)22-21-17-7-3-5-14(17)9-15-6-4-8-18(15)21/h9-11H,1,3-8,12H2,2H3,(H,22,23).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide has a molecular weight of 385.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide is sourced from PubChem (CID 159213474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).