N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C24H25FN2O4S2 — CID 43021959

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(c3ccc(F)cc3)c3cccs3)C2)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-31-20-10-12-21(13-11-20)33(29,30)27-14-2-4-18(16-27)24(28)26-23(22-5-3-15-32-22)17-6-8-19(25)9-7-17/h3,5-13,15,18,23H,2,4,14,16H2,1H3,(H,26,28)
InChIKeyPDGUMJMLNJZIFI-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.20
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43021959) has the molecular formula C24H25FN2O4S2 and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43021959
Molecular FormulaC24H25FN2O4S2
Molecular Weight488.61 g/mol
Exact Mass488.12
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(c3ccc(F)cc3)c3cccs3)C2)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-31-20-10-12-21(13-11-20)33(29,30)27-14-2-4-18(16-27)24(28)26-23(22-5-3-15-32-22)17-6-8-19(25)9-7-17/h3,5-13,15,18,23H,2,4,14,16H2,1H3,(H,26,28)
InChIKeyPDGUMJMLNJZIFI-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 40947216
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43012696
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55661869
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
1-(4-fluorophenyl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133165865
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 125075665

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 43021959) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(c3ccc(F)cc3)c3cccs3)C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PDGUMJMLNJZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S2/c1-31-20-10-12-21(13-11-20)33(29,30)27-14-2-4-18(16-27)24(28)26-23(22-5-3-15-32-22)17-6-8-19(25)9-7-17/h3,5-13,15,18,23H,2,4,14,16H2,1H3,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43021959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).