2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

C23H31N3O4S — CID 110828098

IUPAC2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c27-22(19-8-10-20(11-9-19)31(28,29)26-14-4-5-15-26)18-24-17-21(23-7-6-16-30-23)25-12-2-1-3-13-25/h6-11,16,21,24H,1-5,12-15,17-18H2
InChIKeyFOZFYBMEIKZQBS-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.06
Rot. Bonds9

About 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110828098) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
PubChem CID110828098
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c27-22(19-8-10-20(11-9-19)31(28,29)26-14-4-5-15-26)18-24-17-21(23-7-6-16-30-23)25-12-2-1-3-13-25/h6-11,16,21,24H,1-5,12-15,17-18H2
InChIKeyFOZFYBMEIKZQBS-UHFFFAOYSA-N
XLogP3.06
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110829885
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1-(4-methylphenyl)ethanone
CID 110825984
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
4-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030017
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829053
1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110828646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (CID 110828098) is 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is O=C(CNCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is FOZFYBMEIKZQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c27-22(19-8-10-20(11-9-19)31(28,29)26-14-4-5-15-26)18-24-17-21(23-7-6-16-30-23)25-12-2-1-3-13-25/h6-11,16,21,24H,1-5,12-15,17-18H2.
What are the key properties of 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 445.59 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).