2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide

C16H20N4O5S — CID 5071176

IUPAC2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Nc2ccon2)C(C)C)cc1
InChIInChI=1S/C16H20N4O5S/c1-11(2)20(10-16(22)18-15-8-9-25-19-15)26(23,24)14-6-4-13(5-7-14)17-12(3)21/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeySNHGWMPVAVBVOA-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.67
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 5071176) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID5071176
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Nc2ccon2)C(C)C)cc1
InChIInChI=1S/C16H20N4O5S/c1-11(2)20(10-16(22)18-15-8-9-25-19-15)26(23,24)14-6-4-13(5-7-14)17-12(3)21/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeySNHGWMPVAVBVOA-UHFFFAOYSA-N
XLogP1.67
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5097519
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 16599852
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
CID 6494974
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3475612
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3982724
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 5071176) is 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Nc2ccon2)C(C)C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is SNHGWMPVAVBVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-11(2)20(10-16(22)18-15-8-9-25-19-15)26(23,24)14-6-4-13(5-7-14)17-12(3)21/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,19,22).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 5071176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).