N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C21H24N2O5S — CID 9367554

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H24N2O5S/c1-14(13-27-3)23-29(25,26)18-10-8-16(9-11-18)21(24)22-15(2)20-12-17-6-4-5-7-19(17)28-20/h4-12,14-15,23H,13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyOSUOPBVDKUJALG-GJZGRUSLSA-N
MW416.50 g/mol
LogP3.24
Rot. Bonds8

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 9367554) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID9367554
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H24N2O5S/c1-14(13-27-3)23-29(25,26)18-10-8-16(9-11-18)21(24)22-15(2)20-12-17-6-4-5-7-19(17)28-20/h4-12,14-15,23H,13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyOSUOPBVDKUJALG-GJZGRUSLSA-N
XLogP3.24
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 41170336
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 9296974

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 9367554) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is OSUOPBVDKUJALG-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14(13-27-3)23-29(25,26)18-10-8-16(9-11-18)21(24)22-15(2)20-12-17-6-4-5-7-19(17)28-20/h4-12,14-15,23H,13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 416.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 9367554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).