N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

C21H18N2O4S — CID 167857934

IUPACN-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2c(ccc3ccccc32)o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H18N2O4S/c1-13(15-6-4-7-16(11-15)28(22,25)26)23-21(24)20-12-18-17-8-3-2-5-14(17)9-10-19(18)27-20/h2-13H,1H3,(H,23,24)(H2,22,25,26)
InChIKeyBXMNRFFRVAJVRW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 167857934) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
PubChem CID167857934
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2c(ccc3ccccc32)o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H18N2O4S/c1-13(15-6-4-7-16(11-15)28(22,25)26)23-21(24)20-12-18-17-8-3-2-5-14(17)9-10-19(18)27-20/h2-13H,1H3,(H,23,24)(H2,22,25,26)
InChIKeyBXMNRFFRVAJVRW-UHFFFAOYSA-N
XLogP3.72
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908
N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 53281445
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (CID 167857934) is N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is CC(NC(=O)c1cc2c(ccc3ccccc32)o1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is BXMNRFFRVAJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-13(15-6-4-7-16(11-15)28(22,25)26)23-21(24)20-12-18-17-8-3-2-5-14(17)9-10-19(18)27-20/h2-13H,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 167857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).