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N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

C18H22N2O4S — CID 55614572

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21)
InChIKeyDAMYSYSCLXHROD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.43
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55614572) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55614572
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21)
InChIKeyDAMYSYSCLXHROD-UHFFFAOYSA-N
XLogP2.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55614572) is N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is CC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DAMYSYSCLXHROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55614572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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