N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C16H17BrN2O4S — CID 2290689

IUPACN-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O4S/c1-23-15-6-4-3-5-14(15)19(24(2,21)22)11-16(20)18-13-9-7-12(17)8-10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMYDKFZVVCWISIT-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.86
Rot. Bonds6

About N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2290689) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID2290689
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC NameN-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O4S/c1-23-15-6-4-3-5-14(15)19(24(2,21)22)11-16(20)18-13-9-7-12(17)8-10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMYDKFZVVCWISIT-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 28589582
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
methyl 4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539381
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 2290689) is N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is MYDKFZVVCWISIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-23-15-6-4-3-5-14(15)19(24(2,21)22)11-16(20)18-13-9-7-12(17)8-10-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 413.29 g/mol, XLogP of 2.86, 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-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2290689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).