N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide

C25H28FN3O4S2 — CID 67420764

IUPACN-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C1(c2cccs2)CCNCC1)S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O4S2/c1-33-21-6-3-2-5-20(21)23(30)29-24(25(12-14-27-15-13-25)22-7-4-16-34-22)35(31,32)28-17-18-8-10-19(26)11-9-18/h2-11,16,24,27-28H,12-15,17H2,1H3,(H,29,30)
InChIKeyADRMWTXSIGXKSI-UHFFFAOYSA-N
MW517.65 g/mol
LogP3.39
Rot. Bonds9

About N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide

N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide (PubChem CID 67420764) has the molecular formula C25H28FN3O4S2 and a molecular weight of 517.65 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
PubChem CID67420764
Molecular FormulaC25H28FN3O4S2
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC NameN-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C1(c2cccs2)CCNCC1)S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O4S2/c1-33-21-6-3-2-5-20(21)23(30)29-24(25(12-14-27-15-13-25)22-7-4-16-34-22)35(31,32)28-17-18-8-10-19(26)11-9-18/h2-11,16,24,27-28H,12-15,17H2,1H3,(H,29,30)
InChIKeyADRMWTXSIGXKSI-UHFFFAOYSA-N
XLogP3.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
CID 67420983
2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67504804
methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 154720937
2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67420131
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8000374
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 22240946
2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide
CID 68885296
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 67420672
N-[[4-(cyclohexen-1-yl)piperidin-4-yl]-(dimethylsulfamoyl)methyl]-2-(trifluoromethoxy)benzamide
CID 22240616

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide (CID 67420764) is N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C1(c2cccs2)CCNCC1)S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is ADRMWTXSIGXKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S2/c1-33-21-6-3-2-5-20(21)23(30)29-24(25(12-14-27-15-13-25)22-7-4-16-34-22)35(31,32)28-17-18-8-10-19(26)11-9-18/h2-11,16,24,27-28H,12-15,17H2,1H3,(H,29,30).
What are the key properties of N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide?
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 517.65 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 67420764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).