N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide

C20H18N2O4S — CID 31112019

IUPACN-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C20H18N2O4S/c23-20(19-7-4-13-26-19)22-18-10-8-17(9-11-18)15-21-27(24,25)14-12-16-5-2-1-3-6-16/h1-14,21H,15H2,(H,22,23)/b14-12+
InChIKeyBWXIAEACENSMJB-WYMLVPIESA-N
MW382.44 g/mol
LogP3.62
Rot. Bonds7

About N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 31112019) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID31112019
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C20H18N2O4S/c23-20(19-7-4-13-26-19)22-18-10-8-17(9-11-18)15-21-27(24,25)14-12-16-5-2-1-3-6-16/h1-14,21H,15H2,(H,22,23)/b14-12+
InChIKeyBWXIAEACENSMJB-WYMLVPIESA-N
XLogP3.62
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
CID 31112265
N-[4-[(morpholin-4-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide
CID 55515575
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 5348605
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[5-chloro-2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]furan-2-carboxamide
CID 39344855
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide (CID 31112019) is N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is BWXIAEACENSMJB-WYMLVPIESA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-20(19-7-4-13-26-19)22-18-10-8-17(9-11-18)15-21-27(24,25)14-12-16-5-2-1-3-6-16/h1-14,21H,15H2,(H,22,23)/b14-12+.
What are the key properties of N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 31112019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).