4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide

C23H28N4O5S — CID 55951793

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1
InChIInChI=1S/C23H28N4O5S/c1-18(28)25-9-11-27(12-10-25)33(30,31)22-7-5-19(6-8-22)23(29)24-20-3-2-4-21(17-20)26-13-15-32-16-14-26/h2-8,17H,9-16H2,1H3,(H,24,29)
InChIKeyDHWNBTGKRMQUDG-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.63
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 55951793) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID55951793
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1
InChIInChI=1S/C23H28N4O5S/c1-18(28)25-9-11-27(12-10-25)33(30,31)22-7-5-19(6-8-22)23(29)24-20-3-2-4-21(17-20)26-13-15-32-16-14-26/h2-8,17H,9-16H2,1H3,(H,24,29)
InChIKeyDHWNBTGKRMQUDG-UHFFFAOYSA-N
XLogP1.63
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
CID 9179296
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 3909763
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide (CID 55951793) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is DHWNBTGKRMQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-18(28)25-9-11-27(12-10-25)33(30,31)22-7-5-19(6-8-22)23(29)24-20-3-2-4-21(17-20)26-13-15-32-16-14-26/h2-8,17H,9-16H2,1H3,(H,24,29).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 472.57 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 55951793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).