N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H18N4O5S2 — CID 24502578

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18N4O5S2/c25-18(8-9-19-23-20(24-29-19)17-7-3-11-30-17)22-14-4-1-6-16(12-14)31(26,27)21-13-15-5-2-10-28-15/h1-7,10-12,21H,8-9,13H2,(H,22,25)
InChIKeyQEPVJYNTECNMOY-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.44
Rot. Bonds9

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 24502578) has the molecular formula C20H18N4O5S2 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID24502578
Molecular FormulaC20H18N4O5S2
Molecular Weight458.52 g/mol
Exact Mass458.07
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18N4O5S2/c25-18(8-9-19-23-20(24-29-19)17-7-3-11-30-17)22-14-4-1-6-16(12-14)31(26,27)21-13-15-5-2-10-28-15/h1-7,10-12,21H,8-9,13H2,(H,22,25)
InChIKeyQEPVJYNTECNMOY-UHFFFAOYSA-N
XLogP3.44
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089801
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 4964161
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55957281

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 24502578) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QEPVJYNTECNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S2/c25-18(8-9-19-23-20(24-29-19)17-7-3-11-30-17)22-14-4-1-6-16(12-14)31(26,27)21-13-15-5-2-10-28-15/h1-7,10-12,21H,8-9,13H2,(H,22,25).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 458.52 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 24502578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).