N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide

C17H19BrN2O5S — CID 22303984

IUPACN-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)c(S(C)(=O)=O)c1OC
InChIInChI=1S/C17H19BrN2O5S/c1-24-14-9-8-13(17(16(14)25-2)26(3,22)23)19-10-15(21)20-12-7-5-4-6-11(12)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyYBNDYJDFFYFODW-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.92
Rot. Bonds7

About N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide

N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide (PubChem CID 22303984) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
PubChem CID22303984
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC NameN-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)c(S(C)(=O)=O)c1OC
InChIInChI=1S/C17H19BrN2O5S/c1-24-14-9-8-13(17(16(14)25-2)26(3,22)23)19-10-15(21)20-12-7-5-4-6-11(12)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyYBNDYJDFFYFODW-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 22304063
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
CID 22304423
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075251
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
CID 22303972
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide (CID 22303984) is N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide is COc1ccc(NCC(=O)Nc2ccccc2Br)c(S(C)(=O)=O)c1OC.
What is the InChIKey of N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide?
The InChIKey is YBNDYJDFFYFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-24-14-9-8-13(17(16(14)25-2)26(3,22)23)19-10-15(21)20-12-7-5-4-6-11(12)18/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide has a molecular weight of 443.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22303984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).