N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide

C24H29ClFN3O4S — CID 93178892

IUPACN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClFN3O4S/c1-3-28(4-2)24(31)22(27-23(30)18-5-9-20(26)10-6-18)17-13-15-29(16-14-17)34(32,33)21-11-7-19(25)8-12-21/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUFEPOVDXVHRFJO-QFIPXVFZSA-N
MW510.03 g/mol
LogP3.55
Rot. Bonds8

About N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide

N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 93178892) has the molecular formula C24H29ClFN3O4S and a molecular weight of 510.03 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID93178892
Molecular FormulaC24H29ClFN3O4S
Molecular Weight510.03 g/mol
Exact Mass509.16
IUPAC NameN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClFN3O4S/c1-3-28(4-2)24(31)22(27-23(30)18-5-9-20(26)10-6-18)17-13-15-29(16-14-17)34(32,33)21-11-7-19(25)8-12-21/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUFEPOVDXVHRFJO-QFIPXVFZSA-N
XLogP3.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.03
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014688
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-fluorobenzamide
CID 93183349
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-[2-(butan-2-ylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 46020818
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide (CID 93178892) is N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is UFEPOVDXVHRFJO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29ClFN3O4S/c1-3-28(4-2)24(31)22(27-23(30)18-5-9-20(26)10-6-18)17-13-15-29(16-14-17)34(32,33)21-11-7-19(25)8-12-21/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 510.03 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 93178892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).