1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

C24H27FN4O4S — CID 25358350

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2nccn2C)c1
InChIInChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(18-4-3-5-20(16-18)33-2)27-24(30)17-10-13-29(14-11-17)34(31,32)21-8-6-19(25)7-9-21/h3-9,12,15-17,22H,10-11,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyYILMMVSJBTXENS-QFIPXVFZSA-N
MW486.57 g/mol
LogP2.87
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 25358350) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID25358350
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2nccn2C)c1
InChIInChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(18-4-3-5-20(16-18)33-2)27-24(30)17-10-13-29(14-11-17)34(31,32)21-8-6-19(25)7-9-21/h3-9,12,15-17,22H,10-11,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyYILMMVSJBTXENS-QFIPXVFZSA-N
XLogP2.87
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 46513298
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25367078
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25388747
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42895932
3-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269278

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 25358350) is 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is COc1cccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2nccn2C)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YILMMVSJBTXENS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(18-4-3-5-20(16-18)33-2)27-24(30)17-10-13-29(14-11-17)34(31,32)21-8-6-19(25)7-9-21/h3-9,12,15-17,22H,10-11,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25358350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).