N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide

C23H30FN3O5S — CID 30152291

IUPACN-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1
InChIInChI=1S/C23H30FN3O5S/c1-5-25-10-12-26(13-11-25)23(28)18-14-21(31-2)22(32-3)15-20(18)27(33(4,29)30)16-17-8-6-7-9-19(17)24/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyYSNWNQWIXIWRFF-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 30152291) has the molecular formula C23H30FN3O5S and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID30152291
Molecular FormulaC23H30FN3O5S
Molecular Weight479.57 g/mol
Exact Mass479.19
IUPAC NameN-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1
InChIInChI=1S/C23H30FN3O5S/c1-5-25-10-12-26(13-11-25)23(28)18-14-21(31-2)22(32-3)15-20(18)27(33(4,29)30)16-17-8-6-7-9-19(17)24/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyYSNWNQWIXIWRFF-UHFFFAOYSA-N
XLogP2.59
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]methanesulfonamide
CID 30151155
N-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dimethoxyphenyl]methanesulfonamide
CID 43889446
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152189
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
N-benzyl-N-[4,5-dimethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 43889390
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30152346
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 30152333
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 30152034
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 30151941
N-(4-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 30152291) is N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide is CCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is YSNWNQWIXIWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5S/c1-5-25-10-12-26(13-11-25)23(28)18-14-21(31-2)22(32-3)15-20(18)27(33(4,29)30)16-17-8-6-7-9-19(17)24/h6-9,14-15H,5,10-13,16H2,1-4H3.
What are the key properties of N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 479.57 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 30152291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).