N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide

C16H15N3O5S2 — CID 43023449

IUPACN-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnc(-c2ccco2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15N3O5S2/c1-10(25-16-18-17-15(24-16)13-4-3-9-23-13)14(20)11-5-7-12(8-6-11)19-26(2,21)22/h3-10,19H,1-2H3
InChIKeyRDTCXMHTONIXDC-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.06
Rot. Bonds7

About N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide

N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide (PubChem CID 43023449) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
PubChem CID43023449
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC NameN-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnc(-c2ccco2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15N3O5S2/c1-10(25-16-18-17-15(24-16)13-4-3-9-23-13)14(20)11-5-7-12(8-6-11)19-26(2,21)22/h3-10,19H,1-2H3
InChIKeyRDTCXMHTONIXDC-UHFFFAOYSA-N
XLogP3.06
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide 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-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
CID 46805926
1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 42986060
(2S)-N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808607
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7374115
(2R)-N-(3-chlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808538
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 8663172
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41074343
(2R)-N-cyclopentyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2472133
N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3589077
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7374190
(2R)-N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808581
N-(3-fluoro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18091419

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide (CID 43023449) is N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide is CC(Sc1nnc(-c2ccco2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The InChIKey is RDTCXMHTONIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-10(25-16-18-17-15(24-16)13-4-3-9-23-13)14(20)11-5-7-12(8-6-11)19-26(2,21)22/h3-10,19H,1-2H3.
What are the key properties of N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide has a molecular weight of 393.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 43023449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).