N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide

C25H36N4O3S — CID 17431519

IUPACN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H36N4O3S/c1-5-27-14-16-28(17-15-27)24-13-12-22(33(31,32)29(6-2)7-3)19-23(24)26-25(30)18-21-10-8-20(4)9-11-21/h8-13,19H,5-7,14-18H2,1-4H3,(H,26,30)
InChIKeyTXZLTNRQFAOHJF-UHFFFAOYSA-N
MW472.66 g/mol
LogP3.35
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 17431519) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
PubChem CID17431519
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H36N4O3S/c1-5-27-14-16-28(17-15-27)24-13-12-22(33(31,32)29(6-2)7-3)19-23(24)26-25(30)18-21-10-8-20(4)9-11-21/h8-13,19H,5-7,14-18H2,1-4H3,(H,26,30)
InChIKeyTXZLTNRQFAOHJF-UHFFFAOYSA-N
XLogP3.35
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55531791
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 55383928
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 4851065
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95298708
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide (CID 17431519) is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide is CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is TXZLTNRQFAOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-5-27-14-16-28(17-15-27)24-13-12-22(33(31,32)29(6-2)7-3)19-23(24)26-25(30)18-21-10-8-20(4)9-11-21/h8-13,19H,5-7,14-18H2,1-4H3,(H,26,30).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 472.66 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 17431519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).