N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H21N5O4S — CID 46968479

IUPACN-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-14(23)19-15-2-4-16(5-3-15)27(25,26)22-10-8-21(9-11-22)17(24)12-20-7-6-18-13-20/h2-7,13H,8-12H2,1H3,(H,19,23)
InChIKeyOPTYCJITMZWQGX-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.37
Rot. Bonds5

About N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 46968479) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID46968479
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-14(23)19-15-2-4-16(5-3-15)27(25,26)22-10-8-21(9-11-22)17(24)12-20-7-6-18-13-20/h2-7,13H,8-12H2,1H3,(H,19,23)
InChIKeyOPTYCJITMZWQGX-UHFFFAOYSA-N
XLogP0.37
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108569277
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 27783595
2-(3-imidazol-1-ylpropylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17066686
N-[4-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]sulfonylphenyl]acetamide;oxalic acid
CID 126477298
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17066696
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 46968479) is N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OPTYCJITMZWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-14(23)19-15-2-4-16(5-3-15)27(25,26)22-10-8-21(9-11-22)17(24)12-20-7-6-18-13-20/h2-7,13H,8-12H2,1H3,(H,19,23).
What are the key properties of N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 46968479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).