N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide

C22H28FN3O4S — CID 56520478

IUPACN',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H28FN3O4S/c1-4-26(5-2)22(28)12-8-11-21(27)24-17-14-13-16(3)20(15-17)31(29,30)25-19-10-7-6-9-18(19)23/h6-7,9-10,13-15,25H,4-5,8,11-12H2,1-3H3,(H,24,27)
InChIKeyKENIANRHHIYCAK-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.91
Rot. Bonds10

About N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide

N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide (PubChem CID 56520478) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
PubChem CID56520478
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC NameN',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H28FN3O4S/c1-4-26(5-2)22(28)12-8-11-21(27)24-17-14-13-16(3)20(15-17)31(29,30)25-19-10-7-6-9-18(19)23/h6-7,9-10,13-15,25H,4-5,8,11-12H2,1-3H3,(H,24,27)
InChIKeyKENIANRHHIYCAK-UHFFFAOYSA-N
XLogP3.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
CID 38019848
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]butanamide
CID 24648360
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 25489998
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24648339
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide?
The IUPAC name of N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide (CID 56520478) is N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide?
The canonical SMILES for N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide is CCN(CC)C(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide?
The InChIKey is KENIANRHHIYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-4-26(5-2)22(28)12-8-11-21(27)24-17-14-13-16(3)20(15-17)31(29,30)25-19-10-7-6-9-18(19)23/h6-7,9-10,13-15,25H,4-5,8,11-12H2,1-3H3,(H,24,27).
What are the key properties of N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide?
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide has a molecular weight of 449.55 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide is sourced from PubChem (CID 56520478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).