(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide

C23H31ClN4O4S — CID 30620235

IUPAC(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H31ClN4O4S/c1-18(27-13-11-26(12-14-27)17-19-6-5-15-32-19)23(29)25-22-16-20(7-8-21(22)24)33(30,31)28-9-3-2-4-10-28/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyLBIHZQWNHGSNEV-SFHVURJKSA-N
MW495.05 g/mol
LogP3.25
Rot. Bonds7

About (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide

(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 30620235) has the molecular formula C23H31ClN4O4S and a molecular weight of 495.05 g/mol. Its IUPAC name is (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID30620235
Molecular FormulaC23H31ClN4O4S
Molecular Weight495.05 g/mol
Exact Mass494.18
IUPAC Name(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H31ClN4O4S/c1-18(27-13-11-26(12-14-27)17-19-6-5-15-32-19)23(29)25-22-16-20(7-8-21(22)24)33(30,31)28-9-3-2-4-10-28/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyLBIHZQWNHGSNEV-SFHVURJKSA-N
XLogP3.25
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.05
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42912049
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 7434647
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 86913214
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 40987351
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 41144250
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide (CID 30620235) is (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is LBIHZQWNHGSNEV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31ClN4O4S/c1-18(27-13-11-26(12-14-27)17-19-6-5-15-32-19)23(29)25-22-16-20(7-8-21(22)24)33(30,31)28-9-3-2-4-10-28/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 495.05 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30620235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).