3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide

C18H27N3O4S — CID 26636971

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)CC1
InChIInChI=1S/C18H27N3O4S/c1-14(2)7-8-19-18(23)16-5-4-6-17(13-16)26(24,25)21-11-9-20(10-12-21)15(3)22/h4-6,13-14H,7-12H2,1-3H3,(H,19,23)
InChIKeyUTLYEBPLJNDWPE-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.32
Rot. Bonds6

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

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide (PubChem CID 26636971) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
PubChem CID26636971
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)CC1
InChIInChI=1S/C18H27N3O4S/c1-14(2)7-8-19-18(23)16-5-4-6-17(13-16)26(24,25)21-11-9-20(10-12-21)15(3)22/h4-6,13-14H,7-12H2,1-3H3,(H,19,23)
InChIKeyUTLYEBPLJNDWPE-UHFFFAOYSA-N
XLogP1.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
CID 19257278
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 41368824
3-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109062779
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-(4-bromobenzoyl)benzohydrazide
CID 25163191

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide (CID 26636971) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide?
The InChIKey is UTLYEBPLJNDWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14(2)7-8-19-18(23)16-5-4-6-17(13-16)26(24,25)21-11-9-20(10-12-21)15(3)22/h4-6,13-14H,7-12H2,1-3H3,(H,19,23).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 1.32, 6 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 26636971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).