N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H21N3O4S — CID 113064784

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1cc(C)on1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-12(2)15(9-11)24(21,22)17-7-8-19(14(4)20)16-10-13(3)23-18-16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyANBUAYHKQOBNTA-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.93
Rot. Bonds6

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113064784) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113064784
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1cc(C)on1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-12(2)15(9-11)24(21,22)17-7-8-19(14(4)20)16-10-13(3)23-18-16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyANBUAYHKQOBNTA-UHFFFAOYSA-N
XLogP1.93
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064816
N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064672
N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113063010
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732
N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113064726
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
CID 113057520
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 38496686

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113064784) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1cc(C)on1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ANBUAYHKQOBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-5-6-12(2)15(9-11)24(21,22)17-7-8-19(14(4)20)16-10-13(3)23-18-16/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113064784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).