N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide

C17H25N3O5S — CID 113152203

IUPACN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1cccc(CCN(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H25N3O5S/c1-25-16-5-3-4-15(12-16)6-7-20(26(2,23)24)13-17(22)19-10-8-18(14-21)9-11-19/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyYTOPPYQWGFWIOQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP-0.20
Rot. Bonds8

About N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 113152203) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID113152203
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1cccc(CCN(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H25N3O5S/c1-25-16-5-3-4-15(12-16)6-7-20(26(2,23)24)13-17(22)19-10-8-18(14-21)9-11-19/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyYTOPPYQWGFWIOQ-UHFFFAOYSA-N
XLogP-0.20
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113152194
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 1021969
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
4-[3-(3-methoxyphenyl)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505027
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164653
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide (CID 113152203) is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide is COc1cccc(CCN(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is YTOPPYQWGFWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-25-16-5-3-4-15(12-16)6-7-20(26(2,23)24)13-17(22)19-10-8-18(14-21)9-11-19/h3-5,12,14H,6-11,13H2,1-2H3.
What are the key properties of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide?
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of -0.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 113152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).