N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C16H17BrN2O4S — CID 1082278

IUPACN-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)11-16(20)18-13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKCPXUASGIMERHC-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.86
Rot. Bonds6

About N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1082278) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1082278
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC NameN-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)11-16(20)18-13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKCPXUASGIMERHC-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

4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
CID 30128918
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
2-(3-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 38006149

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 1082278) is N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is KCPXUASGIMERHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)11-16(20)18-13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-(3-bromophenyl)-2-(4-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-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1082278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).