N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide

C23H32N6O3S — CID 24607567

IUPACN-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(=O)NCc4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C23H32N6O3S/c1-26-9-15-29(16-10-26)33(31,32)21-7-8-22(24-18-21)28-13-11-27(12-14-28)19-23(30)25-17-20-5-3-2-4-6-20/h2-8,18H,9-17,19H2,1H3,(H,25,30)
InChIKeyRDPXRWAVCXVXQJ-UHFFFAOYSA-N
MW472.62 g/mol
LogP0.46
Rot. Bonds7

About N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 24607567) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID24607567
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC NameN-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(=O)NCc4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C23H32N6O3S/c1-26-9-15-29(16-10-26)33(31,32)21-7-8-22(24-18-21)28-13-11-27(12-14-28)19-23(30)25-17-20-5-3-2-4-6-20/h2-8,18H,9-17,19H2,1H3,(H,25,30)
InChIKeyRDPXRWAVCXVXQJ-UHFFFAOYSA-N
XLogP0.46
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
1-methyl-4-[[6-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 2997914
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
N-benzyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]acetamide
CID 24607550
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
CID 108736162
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide (CID 24607567) is N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide is CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(=O)NCc4ccccc4)CC3)nc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is RDPXRWAVCXVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-26-9-15-29(16-10-26)33(31,32)21-7-8-22(24-18-21)28-13-11-27(12-14-28)19-23(30)25-17-20-5-3-2-4-6-20/h2-8,18H,9-17,19H2,1H3,(H,25,30).
What are the key properties of N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 472.62 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24607567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).