2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C16H18N4O4S — CID 112993213

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-16(22)18-10-13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyXACYDFYIUYHLEJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.63
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 112993213) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID112993213
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-16(22)18-10-13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyXACYDFYIUYHLEJ-UHFFFAOYSA-N
XLogP0.63
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 112993203
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
CID 108574450
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 112993213) is 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XACYDFYIUYHLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-16(22)18-10-13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 112993213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).