2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide

C20H25N3O3S — CID 9104917

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-17-7-6-8-18(15-17)21-20(24)16-22-11-13-23(14-12-22)27(25,26)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3,(H,21,24)
InChIKeyDCBPDBAVHBAONV-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.19
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 9104917) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID9104917
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-17-7-6-8-18(15-17)21-20(24)16-22-11-13-23(14-12-22)27(25,26)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3,(H,21,24)
InChIKeyDCBPDBAVHBAONV-UHFFFAOYSA-N
XLogP2.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 31373840
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide (CID 9104917) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is DCBPDBAVHBAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-17-7-6-8-18(15-17)21-20(24)16-22-11-13-23(14-12-22)27(25,26)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3,(H,21,24).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 9104917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).