N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C24H32N4O5S — CID 24532563

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccco1
InChIInChI=1S/C24H32N4O5S/c29-23(25-17-20-8-7-15-33-20)18-26-24(30)19-9-10-21(27-11-3-1-4-12-27)22(16-19)34(31,32)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17-18H2,(H,25,29)(H,26,30)
InChIKeyJMYDBXYKEBTOTB-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.49
Rot. Bonds8

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 24532563) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID24532563
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccco1
InChIInChI=1S/C24H32N4O5S/c29-23(25-17-20-8-7-15-33-20)18-26-24(30)19-9-10-21(27-11-3-1-4-12-27)22(16-19)34(31,32)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17-18H2,(H,25,29)(H,26,30)
InChIKeyJMYDBXYKEBTOTB-UHFFFAOYSA-N
XLogP2.49
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349120
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9080360
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 24532563) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is O=C(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JMYDBXYKEBTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c29-23(25-17-20-8-7-15-33-20)18-26-24(30)19-9-10-21(27-11-3-1-4-12-27)22(16-19)34(31,32)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17-18H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 488.61 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24532563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).