N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide

C23H27FN4O4S — CID 24588853

IUPACN-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H27FN4O4S/c24-19-6-2-4-8-21(19)33(31,32)28-15-13-27(14-16-28)12-11-22(29)26-20-7-3-1-5-18(20)23(30)25-17-9-10-17/h1-8,17H,9-16H2,(H,25,30)(H,26,29)
InChIKeyNHIBOJRMOBHCBF-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.05
Rot. Bonds8

About N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide

N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide (PubChem CID 24588853) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
PubChem CID24588853
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC NameN-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H27FN4O4S/c24-19-6-2-4-8-21(19)33(31,32)28-15-13-27(14-16-28)12-11-22(29)26-20-7-3-1-5-18(20)23(30)25-17-9-10-17/h1-8,17H,9-16H2,(H,25,30)(H,26,29)
InChIKeyNHIBOJRMOBHCBF-UHFFFAOYSA-N
XLogP2.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-N-cyclopropylbenzamide
CID 2681212
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32647585

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide (CID 24588853) is N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide is O=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide?
The InChIKey is NHIBOJRMOBHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c24-19-6-2-4-8-21(19)33(31,32)28-15-13-27(14-16-28)12-11-22(29)26-20-7-3-1-5-18(20)23(30)25-17-9-10-17/h1-8,17H,9-16H2,(H,25,30)(H,26,29).
What are the key properties of N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide?
N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide has a molecular weight of 474.56 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 24588853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).