N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

C23H25N3O4S — CID 2998132

IUPACN-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1
InChIInChI=1S/C23H25N3O4S/c1-18(21-8-7-17-30-21)26(22-9-3-4-14-24-22)23(27)19-10-12-20(13-11-19)31(28,29)25-15-5-2-6-16-25/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3
InChIKeyPLWMHUOIYTVFHJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 2998132) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
PubChem CID2998132
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1
InChIInChI=1S/C23H25N3O4S/c1-18(21-8-7-17-30-21)26(22-9-3-4-14-24-22)23(27)19-10-12-20(13-11-19)31(28,29)25-15-5-2-6-16-25/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3
InChIKeyPLWMHUOIYTVFHJ-UHFFFAOYSA-N
XLogP4.26
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 195216
CID 195216
CID 2999743
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CID 10339454
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CID 2999707
CID 2999707
CID 3365953
CID 3365953
CID 3580479
CID 3580479
CID 3680619
CID 3680619
CID 4059652
CID 4059652
CID 4246503
CID 4246503
CID 4347626
CID 4347626
CID 5307847
CID 5307847
CID 5309155
CID 5309155

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (CID 2998132) is N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is CC(c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is PLWMHUOIYTVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-18(21-8-7-17-30-21)26(22-9-3-4-14-24-22)23(27)19-10-12-20(13-11-19)31(28,29)25-15-5-2-6-16-25/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 2998132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).