3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide

C24H30N4O4S — CID 41202634

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)CC1
InChIInChI=1S/C24H30N4O4S/c1-19(29)27-12-14-28(15-13-27)33(31,32)23-9-5-8-21(16-23)24(30)25-22-10-11-26(18-22)17-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyRQABDLUVWGONHR-JOCHJYFZSA-N
MW470.60 g/mol
LogP1.54
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide (PubChem CID 41202634) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
PubChem CID41202634
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)CC1
InChIInChI=1S/C24H30N4O4S/c1-19(29)27-12-14-28(15-13-27)33(31,32)23-9-5-8-21(16-23)24(30)25-22-10-11-26(18-22)17-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyRQABDLUVWGONHR-JOCHJYFZSA-N
XLogP1.54
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41194380
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818
ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 109062305
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
CID 42993180
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 42971999

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide (CID 41202634) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide?
The InChIKey is RQABDLUVWGONHR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-19(29)27-12-14-28(15-13-27)33(31,32)23-9-5-8-21(16-23)24(30)25-22-10-11-26(18-22)17-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3,(H,25,30)/t22-/m1/s1.
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 1.54, 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-[(3R)-1-benzylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 41202634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).