N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

C17H17N3O5S2 — CID 33348830

IUPACN-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17N3O5S2/c21-17(13-11-15(25-18-13)14-3-1-9-24-14)20-7-5-12(6-8-20)19-27(22,23)16-4-2-10-26-16/h1-4,9-12,19H,5-8H2
InChIKeyPLLHRWXBSGXNPB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.58
Rot. Bonds5

About N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33348830) has the molecular formula C17H17N3O5S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID33348830
Molecular FormulaC17H17N3O5S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC NameN-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17N3O5S2/c21-17(13-11-15(25-18-13)14-3-1-9-24-14)20-7-5-12(6-8-20)19-27(22,23)16-4-2-10-26-16/h1-4,9-12,19H,5-8H2
InChIKeyPLLHRWXBSGXNPB-UHFFFAOYSA-N
XLogP2.58
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38813023
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33173707
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 17484080
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878776

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 33348830) is N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(c1cc(-c2ccco2)on1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is PLLHRWXBSGXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S2/c21-17(13-11-15(25-18-13)14-3-1-9-24-14)20-7-5-12(6-8-20)19-27(22,23)16-4-2-10-26-16/h1-4,9-12,19H,5-8H2.
What are the key properties of N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 407.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33348830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).