N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide

C18H22N4O4S — CID 113055265

IUPACN-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C18H22N4O4S/c1-14(23)21-16-6-8-18(9-7-16)27(25,26)20-11-12-22(15(2)24)13-17-5-3-4-10-19-17/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyCXHIIHZWZKXOCC-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.37
Rot. Bonds8

About N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide (PubChem CID 113055265) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide
PubChem CID113055265
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C18H22N4O4S/c1-14(23)21-16-6-8-18(9-7-16)27(25,26)20-11-12-22(15(2)24)13-17-5-3-4-10-19-17/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyCXHIIHZWZKXOCC-UHFFFAOYSA-N
XLogP1.37
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide (CID 113055265) is N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCN(Cc2ccccn2)C(C)=O)cc1.
What is the InChIKey of N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is CXHIIHZWZKXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-14(23)21-16-6-8-18(9-7-16)27(25,26)20-11-12-22(15(2)24)13-17-5-3-4-10-19-17/h3-10,20H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113055265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).