2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide

C22H19BrN2O5S — CID 1254177

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)oc1ccccc12
InChIInChI=1S/C22H19BrN2O5S/c1-25(31(27,28)15-9-7-14(23)8-10-15)13-22(26)24-18-12-20-17(11-21(18)29-2)16-5-3-4-6-19(16)30-20/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyOLNFPPAKFLOOQI-UHFFFAOYSA-N
MW503.37 g/mol
LogP4.62
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 1254177) has the molecular formula C22H19BrN2O5S and a molecular weight of 503.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID1254177
Molecular FormulaC22H19BrN2O5S
Molecular Weight503.37 g/mol
Exact Mass502.02
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)oc1ccccc12
InChIInChI=1S/C22H19BrN2O5S/c1-25(31(27,28)15-9-7-14(23)8-10-15)13-22(26)24-18-12-20-17(11-21(18)29-2)16-5-3-4-6-19(16)30-20/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyOLNFPPAKFLOOQI-UHFFFAOYSA-N
XLogP4.62
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
N-(2-methoxydibenzofuran-3-yl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616682
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120326
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
CID 4052541
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583228
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 1254177) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)oc1ccccc12.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is OLNFPPAKFLOOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O5S/c1-25(31(27,28)15-9-7-14(23)8-10-15)13-22(26)24-18-12-20-17(11-21(18)29-2)16-5-3-4-6-19(16)30-20/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 503.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 1254177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).