N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide

C17H25N3O5S — CID 113155268

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O5S/c1-4-25-16-7-5-15(6-8-16)20(26(3,23)24)13-17(22)19-11-9-18(10-12-19)14(2)21/h5-8H,4,9-13H2,1-3H3
InChIKeyVZAYZMKLBPDIKX-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide (PubChem CID 113155268) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide
PubChem CID113155268
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O5S/c1-4-25-16-7-5-15(6-8-16)20(26(3,23)24)13-17(22)19-11-9-18(10-12-19)14(2)21/h5-8H,4,9-13H2,1-3H3
InChIKeyVZAYZMKLBPDIKX-UHFFFAOYSA-N
XLogP0.54
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1137873
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30272318
ethyl 4-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156731
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide
CID 2207186
4-ethoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2911675
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156021
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
ethyl 4-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148688
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide (CID 113155268) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide is CCOc1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide?
The InChIKey is VZAYZMKLBPDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-4-25-16-7-5-15(6-8-16)20(26(3,23)24)13-17(22)19-11-9-18(10-12-19)14(2)21/h5-8H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 113155268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).