2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C20H28N2O3S — CID 160510122

IUPAC2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCCN1CCC(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C20H28N2O3S/c1-2-22-10-9-16(12-22)26(24,25)13-19(23)21-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h11,16H,2-10,12-13H2,1H3,(H,21,23)
InChIKeyFBOOVXZAEAFGFK-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.11
Rot. Bonds5

About 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 160510122) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID160510122
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCCN1CCC(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C20H28N2O3S/c1-2-22-10-9-16(12-22)26(24,25)13-19(23)21-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h11,16H,2-10,12-13H2,1H3,(H,21,23)
InChIKeyFBOOVXZAEAFGFK-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175724048
CID 175724048
(1-ethylpiperidin-4-yl)sulfonyl-(1,2,3,7-tetrahydro-s-indacen-4-ylcarbamoyl)azanium
CID 163508815
1-(1-ethylpiperidin-4-yl)sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403786
1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157249915
ethane;1-(1-ethylpiperidin-4-yl)sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142513193
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1,1,2,2,2-pentadeuterioethyl)piperidin-4-yl]sulfonylazanide
CID 155658509
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1-methylazetidin-3-yl)piperidin-4-yl]sulfonylazanide
CID 155658633
1-[1-(cyanomethyl)piperidin-4-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403219
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-sulfamoylpiperidine-1-carboxamide
CID 166542156
2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 164995489
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2-methylpropyl)azetidin-3-yl]sulfonylazanide
CID 155658526

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 160510122) is 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is CCN1CCC(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is FBOOVXZAEAFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-2-22-10-9-16(12-22)26(24,25)13-19(23)21-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h11,16H,2-10,12-13H2,1H3,(H,21,23).
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 376.52 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 160510122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).