2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide

C19H21N3O4S — CID 46551665

IUPAC2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(18-11-14-5-3-4-6-17(14)26-18)22(2)12-19(23)21-15-7-9-16(10-8-15)27(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyOARGQPILPHCBSN-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.71
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 46551665) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID46551665
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(18-11-14-5-3-4-6-17(14)26-18)22(2)12-19(23)21-15-7-9-16(10-8-15)27(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyOARGQPILPHCBSN-UHFFFAOYSA-N
XLogP2.71
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
CID 42891727
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46809997
2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)urea
CID 134040562
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (CID 46551665) is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide is CC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OARGQPILPHCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(18-11-14-5-3-4-6-17(14)26-18)22(2)12-19(23)21-15-7-9-16(10-8-15)27(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 46551665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).