N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide

C23H31N3O4S — CID 55330211

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O4S/c27-23(24-18-20(21-11-9-17-30-21)25-13-5-1-6-14-25)19-10-3-4-12-22(19)31(28,29)26-15-7-2-8-16-26/h3-4,9-12,17,20H,1-2,5-8,13-16,18H2,(H,24,27)
InChIKeyRBAISKQLFSBRPG-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55330211) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55330211
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O4S/c27-23(24-18-20(21-11-9-17-30-21)25-13-5-1-6-14-25)19-10-3-4-12-22(19)31(28,29)26-15-7-2-8-16-26/h3-4,9-12,17,20H,1-2,5-8,13-16,18H2,(H,24,27)
InChIKeyRBAISKQLFSBRPG-UHFFFAOYSA-N
XLogP3.41
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 40844556
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide (CID 55330211) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide is O=C(NCC(c1ccco1)N1CCCCC1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RBAISKQLFSBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c27-23(24-18-20(21-11-9-17-30-21)25-13-5-1-6-14-25)19-10-3-4-12-22(19)31(28,29)26-15-7-2-8-16-26/h3-4,9-12,17,20H,1-2,5-8,13-16,18H2,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 445.59 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).