2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide

C17H29N5O3S — CID 119829594

IUPAC2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CN)c1
InChIInChI=1S/C17H29N5O3S/c1-4-22(5-2)26(24,25)14-6-7-16(15(12-14)19-17(23)13-18)21-10-8-20(3)9-11-21/h6-7,12H,4-5,8-11,13,18H2,1-3H3,(H,19,23)
InChIKeyJHBSGZUQJYACOF-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.37
Rot. Bonds7

About 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 119829594) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID119829594
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CN)c1
InChIInChI=1S/C17H29N5O3S/c1-4-22(5-2)26(24,25)14-6-7-16(15(12-14)19-17(23)13-18)21-10-8-20(3)9-11-21/h6-7,12H,4-5,8-11,13,18H2,1-3H3,(H,19,23)
InChIKeyJHBSGZUQJYACOF-UHFFFAOYSA-N
XLogP0.37
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 17431519
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
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55531791
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55390515

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 119829594) is 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JHBSGZUQJYACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-4-22(5-2)26(24,25)14-6-7-16(15(12-14)19-17(23)13-18)21-10-8-20(3)9-11-21/h6-7,12H,4-5,8-11,13,18H2,1-3H3,(H,19,23).
What are the key properties of 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 119829594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).