2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H18ClN3O5S — CID 113157049

IUPAC2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cc(C)on1)S(C)(=O)=O
InChIInChI=1S/C15H18ClN3O5S/c1-9-5-12(13(23-3)7-11(9)16)19(25(4,21)22)8-15(20)17-14-6-10(2)24-18-14/h5-7H,8H2,1-4H3,(H,17,18,20)
InChIKeyREFGZLJWMDIZEJ-UHFFFAOYSA-N
MW387.85 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113157049) has the molecular formula C15H18ClN3O5S and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113157049
Molecular FormulaC15H18ClN3O5S
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cc(C)on1)S(C)(=O)=O
InChIInChI=1S/C15H18ClN3O5S/c1-9-5-12(13(23-3)7-11(9)16)19(25(4,21)22)8-15(20)17-14-6-10(2)24-18-14/h5-7H,8H2,1-4H3,(H,17,18,20)
InChIKeyREFGZLJWMDIZEJ-UHFFFAOYSA-N
XLogP2.36
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961
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-(3-methylbutyl)acetamide
CID 113157038
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156926
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109011258
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
methyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156002
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113157049) is 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)Nc1cc(C)on1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is REFGZLJWMDIZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O5S/c1-9-5-12(13(23-3)7-11(9)16)19(25(4,21)22)8-15(20)17-14-6-10(2)24-18-14/h5-7H,8H2,1-4H3,(H,17,18,20).
What are the key properties of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 387.85 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113157049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).