N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C17H28N4O3S — CID 113062527

IUPACN-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O3S/c1-4-25(23,24)18-9-10-21(15(2)22)17-7-5-16(6-8-17)20-13-11-19(3)12-14-20/h5-8,18H,4,9-14H2,1-3H3
InChIKeyVFCNMXFTDMRROH-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.73
Rot. Bonds7

About N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113062527) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID113062527
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O3S/c1-4-25(23,24)18-9-10-21(15(2)22)17-7-5-16(6-8-17)20-13-11-19(3)12-14-20/h5-8,18H,4,9-14H2,1-3H3
InChIKeyVFCNMXFTDMRROH-UHFFFAOYSA-N
XLogP0.73
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-butylpropanamide
CID 113132222
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113058917
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
methyl N-[2-[4-(4-methylpiperazin-1-yl)-N-methylsulfonylanilino]ethyl]carbamate
CID 113071434
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 113062527) is N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CCS(=O)(=O)NCCN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is VFCNMXFTDMRROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-25(23,24)18-9-10-21(15(2)22)17-7-5-16(6-8-17)20-13-11-19(3)12-14-20/h5-8,18H,4,9-14H2,1-3H3.
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113062527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).