N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide

C25H25ClFN3O5S — CID 46014684

IUPACN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H25ClFN3O5S/c26-19-5-9-22(10-6-19)36(33,34)30-13-11-17(12-14-30)23(25(32)28-16-21-2-1-15-35-21)29-24(31)18-3-7-20(27)8-4-18/h1-10,15,17,23H,11-14,16H2,(H,28,32)(H,29,31)
InChIKeyXZAPLFFNIYYEOD-UHFFFAOYSA-N
MW534.01 g/mol
LogP3.59
Rot. Bonds8

About N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide

N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46014684) has the molecular formula C25H25ClFN3O5S and a molecular weight of 534.01 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID46014684
Molecular FormulaC25H25ClFN3O5S
Molecular Weight534.01 g/mol
Exact Mass533.12
IUPAC NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H25ClFN3O5S/c26-19-5-9-22(10-6-19)36(33,34)30-13-11-17(12-14-30)23(25(32)28-16-21-2-1-15-35-21)29-24(31)18-3-7-20(27)8-4-18/h1-10,15,17,23H,11-14,16H2,(H,28,32)(H,29,31)
InChIKeyXZAPLFFNIYYEOD-UHFFFAOYSA-N
XLogP3.59
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.01
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-fluorobenzamide
CID 93183349
N-ethyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 93178844
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304
N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 98420303
N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178892
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 124773963
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014688
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 7317685

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide (CID 46014684) is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide is O=C(NC(C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is XZAPLFFNIYYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O5S/c26-19-5-9-22(10-6-19)36(33,34)30-13-11-17(12-14-30)23(25(32)28-16-21-2-1-15-35-21)29-24(31)18-3-7-20(27)8-4-18/h1-10,15,17,23H,11-14,16H2,(H,28,32)(H,29,31).
What are the key properties of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide?
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 534.01 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).