N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

C16H21N3O5S — CID 113155395

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C16H21N3O5S/c1-11(2)23-14-8-6-5-7-13(14)19(25(4,21)22)10-16(20)17-15-9-12(3)24-18-15/h5-9,11H,10H2,1-4H3,(H,17,18,20)
InChIKeyCMVROCGWLZUWMY-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.17
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (PubChem CID 113155395) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
PubChem CID113155395
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C16H21N3O5S/c1-11(2)23-14-8-6-5-7-13(14)19(25(4,21)22)10-16(20)17-15-9-12(3)24-18-15/h5-9,11H,10H2,1-4H3,(H,17,18,20)
InChIKeyCMVROCGWLZUWMY-UHFFFAOYSA-N
XLogP2.17
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155378
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113157049
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
methyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156002
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156926
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (CID 113155395) is N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is Cc1cc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The InChIKey is CMVROCGWLZUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-11(2)23-14-8-6-5-7-13(14)19(25(4,21)22)10-16(20)17-15-9-12(3)24-18-15/h5-9,11H,10H2,1-4H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 113155395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).