N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide

C15H22FN3O4S — CID 136524107

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1F
InChIInChI=1S/C15H22FN3O4S/c1-2-23-14-4-3-11(9-13(14)16)10-18-15(20)12-5-7-19(8-6-12)24(17,21)22/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyCJCWQGDSWOCNOW-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.76
Rot. Bonds6

About N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide

N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 136524107) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID136524107
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1F
InChIInChI=1S/C15H22FN3O4S/c1-2-23-14-4-3-11(9-13(14)16)10-18-15(20)12-5-7-19(8-6-12)24(17,21)22/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyCJCWQGDSWOCNOW-UHFFFAOYSA-N
XLogP0.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55669482
N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3445741
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55669481
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55669672
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide (CID 136524107) is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide is CCOc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is CJCWQGDSWOCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-2-23-14-4-3-11(9-13(14)16)10-18-15(20)12-5-7-19(8-6-12)24(17,21)22/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 136524107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).