N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C20H25BrN2O5S — CID 100796931

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H25BrN2O5S/c1-6-14-10-15(21)9-13(2)20(14)22-19(24)12-23(3)29(25,26)18-11-16(27-4)7-8-17(18)28-5/h7-11H,6,12H2,1-5H3,(H,22,24)
InChIKeyYWTGVTWFORABJH-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.60
Rot. Bonds8

About N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100796931) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID100796931
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H25BrN2O5S/c1-6-14-10-15(21)9-13(2)20(14)22-19(24)12-23(3)29(25,26)18-11-16(27-4)7-8-17(18)28-5/h7-11H,6,12H2,1-5H3,(H,22,24)
InChIKeyYWTGVTWFORABJH-UHFFFAOYSA-N
XLogP3.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 100795411
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100799620
N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798781
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 100796931) is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is CCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YWTGVTWFORABJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-6-14-10-15(21)9-13(2)20(14)22-19(24)12-23(3)29(25,26)18-11-16(27-4)7-8-17(18)28-5/h7-11H,6,12H2,1-5H3,(H,22,24).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 485.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100796931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).