4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide

C18H28N4O4S — CID 109060231

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-15(23)21-11-13-22(14-12-21)27(25,26)17-7-5-16(6-8-17)18(24)19-9-4-10-20(2)3/h5-8H,4,9-14H2,1-3H3,(H,19,24)
InChIKeyUMSBHVGXWHDESI-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.22
Rot. Bonds7

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 109060231) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
PubChem CID109060231
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-15(23)21-11-13-22(14-12-21)27(25,26)17-7-5-16(6-8-17)18(24)19-9-4-10-20(2)3/h5-8H,4,9-14H2,1-3H3,(H,19,24)
InChIKeyUMSBHVGXWHDESI-UHFFFAOYSA-N
XLogP0.22
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]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

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
CID 19257278
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109045940
2-[[4-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119172373
N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 109060249
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 166195803
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[[(1S,2R)-2-cyclohexylcyclopropyl]methyl]benzamide
CID 97353536
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide (CID 109060231) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is UMSBHVGXWHDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-15(23)21-11-13-22(14-12-21)27(25,26)17-7-5-16(6-8-17)18(24)19-9-4-10-20(2)3/h5-8H,4,9-14H2,1-3H3,(H,19,24).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 396.51 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 109060231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).