N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide

C11H14FN3O6S — CID 126828969

IUPACN-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(=O)CN(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C11H14FN3O6S/c1-14(22(3,19)20)6-11(16)13-8-4-7(12)10(21-2)5-9(8)15(17)18/h4-5H,6H2,1-3H3,(H,13,16)
InChIKeyPAPUNRJZDXTZAP-UHFFFAOYSA-N
MW335.31 g/mol
LogP0.57
Rot. Bonds6

About N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 126828969) has the molecular formula C11H14FN3O6S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID126828969
Molecular FormulaC11H14FN3O6S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC NameN-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(=O)CN(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C11H14FN3O6S/c1-14(22(3,19)20)6-11(16)13-8-4-7(12)10(21-2)5-9(8)15(17)18/h4-5H,6H2,1-3H3,(H,13,16)
InChIKeyPAPUNRJZDXTZAP-UHFFFAOYSA-N
XLogP0.57
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431761
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
CID 55461123
N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 169373058
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 45372277
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
2-[(5-fluoro-4-methoxy-2-nitroanilino)methylidene]propanedinitrile
CID 168545035
2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
CID 83309276
N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341455
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43980536

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 126828969) is N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide is COc1cc([N+](=O)[O-])c(NC(=O)CN(C)S(C)(=O)=O)cc1F.
What is the InChIKey of N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is PAPUNRJZDXTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O6S/c1-14(22(3,19)20)6-11(16)13-8-4-7(12)10(21-2)5-9(8)15(17)18/h4-5H,6H2,1-3H3,(H,13,16).
What are the key properties of N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 335.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 126828969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).