N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide

C21H26FN3O4S — CID 23600982

IUPACN-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2cccc(F)c2)CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C21H26FN3O4S/c1-29-19-9-3-2-8-18(19)20(26)24-15-21(16-6-4-7-17(22)14-16)10-5-12-25(13-11-21)30(23,27)28/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyNHBHIUBPDFIAKH-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.19
Rot. Bonds6

About N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide

N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide (PubChem CID 23600982) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
PubChem CID23600982
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC NameN-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2cccc(F)c2)CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C21H26FN3O4S/c1-29-19-9-3-2-8-18(19)20(26)24-15-21(16-6-4-7-17(22)14-16)10-5-12-25(13-11-21)30(23,27)28/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyNHBHIUBPDFIAKH-UHFFFAOYSA-N
XLogP2.19
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 23600975
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 23600971
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
CID 118791601
acetylene;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylmorpholine-4-sulfonamide
CID 142271452
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide (CID 23600982) is N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2cccc(F)c2)CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is NHBHIUBPDFIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-29-19-9-3-2-8-18(19)20(26)24-15-21(16-6-4-7-17(22)14-16)10-5-12-25(13-11-21)30(23,27)28/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide?
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 435.52 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 23600982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).