(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide

C20H24FN3O5S — CID 41008117

IUPAC(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1
InChIInChI=1S/C20H24FN3O5S/c21-16-5-7-18(8-6-16)30(27,28)24-11-1-3-15(14-24)20(26)22-10-9-19(25)23-13-17-4-2-12-29-17/h2,4-8,12,15H,1,3,9-11,13-14H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyGOOSFDHUCMQACI-HNNXBMFYSA-N
MW437.49 g/mol
LogP1.64
Rot. Bonds8

About (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 41008117) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID41008117
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1
InChIInChI=1S/C20H24FN3O5S/c21-16-5-7-18(8-6-16)30(27,28)24-11-1-3-15(14-24)20(26)22-10-9-19(25)23-13-17-4-2-12-29-17/h2,4-8,12,15H,1,3,9-11,13-14H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyGOOSFDHUCMQACI-HNNXBMFYSA-N
XLogP1.64
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
CID 100671897
(3R)-N-[3-(benzylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41062304
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 39969578
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]piperidine-3-carboxamide
CID 40921596
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 124773963
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]piperidine-3-carboxamide
CID 41026711
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide (CID 41008117) is (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide is O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is GOOSFDHUCMQACI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c21-16-5-7-18(8-6-16)30(27,28)24-11-1-3-15(14-24)20(26)22-10-9-19(25)23-13-17-4-2-12-29-17/h2,4-8,12,15H,1,3,9-11,13-14H2,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 41008117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).