2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide

C21H23N5O3S — CID 24795557

IUPAC2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N5O3S/c27-21(16-24-10-9-22-17-24)23-18-5-4-8-20(15-18)30(28,29)26-13-11-25(12-14-26)19-6-2-1-3-7-19/h1-10,15,17H,11-14,16H2,(H,23,27)
InChIKeyUZPHVQAWTURDMS-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.03
Rot. Bonds6

About 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide

2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 24795557) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID24795557
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N5O3S/c27-21(16-24-10-9-22-17-24)23-18-5-4-8-20(15-18)30(28,29)26-13-11-25(12-14-26)19-6-2-1-3-7-19/h1-10,15,17H,11-14,16H2,(H,23,27)
InChIKeyUZPHVQAWTURDMS-UHFFFAOYSA-N
XLogP2.03
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938168
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53321771
N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55984369
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876207
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 24795557) is 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide is O=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is UZPHVQAWTURDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-21(16-24-10-9-22-17-24)23-18-5-4-8-20(15-18)30(28,29)26-13-11-25(12-14-26)19-6-2-1-3-7-19/h1-10,15,17H,11-14,16H2,(H,23,27).
What are the key properties of 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 24795557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).