4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide

C23H32N6O4S — CID 30863458

IUPAC4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cc1C(N)=O
InChIInChI=1S/C23H32N6O4S/c1-25-17-20(15-21(25)23(24)31)34(32,33)29-13-11-28(12-14-29)22(30)18-27-9-7-26(8-10-27)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16,18H2,1H3,(H2,24,31)
InChIKeyRGIYZPQHNYYQBC-UHFFFAOYSA-N
MW488.61 g/mol
LogP-0.23
Rot. Bonds7

About 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide

4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (PubChem CID 30863458) has the molecular formula C23H32N6O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
PubChem CID30863458
Molecular FormulaC23H32N6O4S
Molecular Weight488.61 g/mol
Exact Mass488.22
IUPAC Name4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cc1C(N)=O
InChIInChI=1S/C23H32N6O4S/c1-25-17-20(15-21(25)23(24)31)34(32,33)29-13-11-28(12-14-29)22(30)18-27-9-7-26(8-10-27)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16,18H2,1H3,(H2,24,31)
InChIKeyRGIYZPQHNYYQBC-UHFFFAOYSA-N
XLogP-0.23
TPSA112.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

1-methyl-4-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 43036217
1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 30291355
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
4-(4-ethylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 16780059
4-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 24563506
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59011726
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
1-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563839
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (CID 30863458) is 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cc1C(N)=O.
What is the InChIKey of 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The InChIKey is RGIYZPQHNYYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4S/c1-25-17-20(15-21(25)23(24)31)34(32,33)29-13-11-28(12-14-29)22(30)18-27-9-7-26(8-10-27)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16,18H2,1H3,(H2,24,31).
What are the key properties of 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide has a molecular weight of 488.61 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 30863458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).