3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide

C17H26N4O4S — CID 19257278

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-14(22)20-9-11-21(12-10-20)26(24,25)16-6-4-5-15(13-16)17(23)18-7-8-19(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,23)
InChIKeyQDSBDDCYVKDRHB-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.17
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 19257278) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID19257278
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-14(22)20-9-11-21(12-10-20)26(24,25)16-6-4-5-15(13-16)17(23)18-7-8-19(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,23)
InChIKeyQDSBDDCYVKDRHB-UHFFFAOYSA-N
XLogP-0.17
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
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N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
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4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
CID 109060231
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide (CID 19257278) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is QDSBDDCYVKDRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-14(22)20-9-11-21(12-10-20)26(24,25)16-6-4-5-15(13-16)17(23)18-7-8-19(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,23).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 19257278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).