3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide

C22H27N3O4S — CID 19257293

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-3-23(17-19-8-5-4-6-9-19)22(27)20-10-7-11-21(16-20)30(28,29)25-14-12-24(13-15-25)18(2)26/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyKSDMHYDPMPYHOE-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.20
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide (PubChem CID 19257293) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
PubChem CID19257293
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-3-23(17-19-8-5-4-6-9-19)22(27)20-10-7-11-21(16-20)30(28,29)25-14-12-24(13-15-25)18(2)26/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyKSDMHYDPMPYHOE-UHFFFAOYSA-N
XLogP2.20
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 52551951
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide (CID 19257293) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide?
The InChIKey is KSDMHYDPMPYHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-23(17-19-8-5-4-6-9-19)22(27)20-10-7-11-21(16-20)30(28,29)25-14-12-24(13-15-25)18(2)26/h4-11,16H,3,12-15,17H2,1-2H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide has a molecular weight of 429.54 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide is sourced from PubChem (CID 19257293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).