N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide

C26H29FN4O3S — CID 112809859

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H29FN4O3S/c1-3-30-14-16-31(17-15-30)24-7-5-4-6-23(24)28-26(32)20-9-8-19(2)25(18-20)35(33,34)29-22-12-10-21(27)11-13-22/h4-13,18,29H,3,14-17H2,1-2H3,(H,28,32)
InChIKeyWAHATUGWMHENJZ-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 112809859) has the molecular formula C26H29FN4O3S and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
PubChem CID112809859
Molecular FormulaC26H29FN4O3S
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H29FN4O3S/c1-3-30-14-16-31(17-15-30)24-7-5-4-6-23(24)28-26(32)20-9-8-19(2)25(18-20)35(33,34)29-22-12-10-21(27)11-13-22/h4-13,18,29H,3,14-17H2,1-2H3,(H,28,32)
InChIKeyWAHATUGWMHENJZ-UHFFFAOYSA-N
XLogP4.33
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide (CID 112809859) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide is CCN1CCN(c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is WAHATUGWMHENJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3S/c1-3-30-14-16-31(17-15-30)24-7-5-4-6-23(24)28-26(32)20-9-8-19(2)25(18-20)35(33,34)29-22-12-10-21(27)11-13-22/h4-13,18,29H,3,14-17H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 496.61 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 112809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).