4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide

C22H25ClN4O5S — CID 55799423

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C22H25ClN4O5S/c1-3-21(29)24-17-6-9-19(23)20(14-17)25-22(30)16-4-7-18(8-5-16)33(31,32)27-12-10-26(11-13-27)15(2)28/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyRFJUWWJEIPZSBJ-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.79
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide (PubChem CID 55799423) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
PubChem CID55799423
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C22H25ClN4O5S/c1-3-21(29)24-17-6-9-19(23)20(14-17)25-22(30)16-4-7-18(8-5-16)33(31,32)27-12-10-26(11-13-27)15(2)28/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyRFJUWWJEIPZSBJ-UHFFFAOYSA-N
XLogP2.79
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
CID 9179296
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 43029839
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55916990
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-chloro-3-[C-ethenyl-N-(2-methylphenyl)carbonimidoyl]phenyl]benzamide
CID 88542849
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4651643
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
N-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 90448638
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
CID 19257247

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide (CID 55799423) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide?
The InChIKey is RFJUWWJEIPZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-3-21(29)24-17-6-9-19(23)20(14-17)25-22(30)16-4-7-18(8-5-16)33(31,32)27-12-10-26(11-13-27)15(2)28/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide has a molecular weight of 492.99 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 55799423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).