3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide

C20H23N3O4S — CID 7945609

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-16(24)22-10-12-23(13-11-22)28(26,27)19-9-5-8-18(14-19)20(25)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,25)
InChIKeyGZLSVXDTKADKDF-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide (PubChem CID 7945609) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
PubChem CID7945609
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-16(24)22-10-12-23(13-11-22)28(26,27)19-9-5-8-18(14-19)20(25)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,25)
InChIKeyGZLSVXDTKADKDF-UHFFFAOYSA-N
XLogP1.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
CID 19257278
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560634
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 41368824
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
1-benzyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 26837613
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide (CID 7945609) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide?
The InChIKey is GZLSVXDTKADKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-16(24)22-10-12-23(13-11-22)28(26,27)19-9-5-8-18(14-19)20(25)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,25).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide has a molecular weight of 401.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide is sourced from PubChem (CID 7945609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).