N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide

C18H17BrN2O4S — CID 60515847

IUPACN-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cc2ccccc2o1
InChIInChI=1S/C18H17BrN2O4S/c19-14-5-7-16(8-6-14)26(23,24)21-10-9-18(22)20-12-15-11-13-3-1-2-4-17(13)25-15/h1-8,11,21H,9-10,12H2,(H,20,22)
InChIKeyWEDJPCGGWKVGEK-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.18
Rot. Bonds7

About N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide

N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide (PubChem CID 60515847) has the molecular formula C18H17BrN2O4S and a molecular weight of 437.32 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide
PubChem CID60515847
Molecular FormulaC18H17BrN2O4S
Molecular Weight437.32 g/mol
Exact Mass436.01
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cc2ccccc2o1
InChIInChI=1S/C18H17BrN2O4S/c19-14-5-7-16(8-6-14)26(23,24)21-10-9-18(22)20-12-15-11-13-3-1-2-4-17(13)25-15/h1-8,11,21H,9-10,12H2,(H,20,22)
InChIKeyWEDJPCGGWKVGEK-UHFFFAOYSA-N
XLogP3.18
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide
CID 31100943
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide (CID 60515847) is N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The InChIKey is WEDJPCGGWKVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S/c19-14-5-7-16(8-6-14)26(23,24)21-10-9-18(22)20-12-15-11-13-3-1-2-4-17(13)25-15/h1-8,11,21H,9-10,12H2,(H,20,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide has a molecular weight of 437.32 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 60515847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).