N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

C17H18BrFN2O4S — CID 989380

IUPACN-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O4S/c1-11-4-7-15(25-3)16(8-11)26(23,24)21(2)10-17(22)20-14-6-5-12(18)9-13(14)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyKEHJVSXMDUWFKC-UHFFFAOYSA-N
MW445.31 g/mol
LogP3.16
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 989380) has the molecular formula C17H18BrFN2O4S and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID989380
Molecular FormulaC17H18BrFN2O4S
Molecular Weight445.31 g/mol
Exact Mass444.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O4S/c1-11-4-7-15(25-3)16(8-11)26(23,24)21(2)10-17(22)20-14-6-5-12(18)9-13(14)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyKEHJVSXMDUWFKC-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
N-[(E)-(4-bromophenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 92929443
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 5005673
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891541
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (CID 989380) is N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is KEHJVSXMDUWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O4S/c1-11-4-7-15(25-3)16(8-11)26(23,24)21(2)10-17(22)20-14-6-5-12(18)9-13(14)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 445.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 989380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).