N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

C17H19BrN2O4S — CID 5128990

IUPACN-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrN2O4S/c1-12-10-15(8-9-16(12)24-3)25(22,23)20(2)11-17(21)19-14-6-4-13(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyFSSUGSPBAJZVJG-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.03
Rot. Bonds6

About N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 5128990) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID5128990
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrN2O4S/c1-12-10-15(8-9-16(12)24-3)25(22,23)20(2)11-17(21)19-14-6-4-13(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyFSSUGSPBAJZVJG-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
N-[4-(1-cyanocyclopropyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 100795448
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168365
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 45372888
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (CID 5128990) is N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1C.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is FSSUGSPBAJZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-12-10-15(8-9-16(12)24-3)25(22,23)20(2)11-17(21)19-14-6-4-13(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 5128990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).