4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C24H27FN4O4S — CID 25342034

IUPAC4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c2nccn2C)cc1
InChIInChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(17-6-9-19(33-2)10-7-17)27-24(30)18-8-11-20(25)21(16-18)34(31,32)29-13-4-3-5-14-29/h6-12,15-16,22H,3-5,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUTBFMGOOVLIOOG-QFIPXVFZSA-N
MW486.57 g/mol
LogP3.26
Rot. Bonds7

About 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 25342034) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID25342034
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c2nccn2C)cc1
InChIInChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(17-6-9-19(33-2)10-7-17)27-24(30)18-8-11-20(25)21(16-18)34(31,32)29-13-4-3-5-14-29/h6-12,15-16,22H,3-5,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUTBFMGOOVLIOOG-QFIPXVFZSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 42924351
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27034480
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 55457881
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55763825
3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42922984

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 25342034) is 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide is COc1ccc([C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c2nccn2C)cc1.
What is the InChIKey of 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UTBFMGOOVLIOOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-28-15-12-26-23(28)22(17-6-9-19(33-2)10-7-17)27-24(30)18-8-11-20(25)21(16-18)34(31,32)29-13-4-3-5-14-29/h6-12,15-16,22H,3-5,13-14H2,1-2H3,(H,27,30)/t22-/m0/s1.
What are the key properties of 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 486.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).