4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide

C18H19N3O5S — CID 139003824

IUPAC4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CCOc3ccccc32)no1
InChIInChI=1S/C18H19N3O5S/c1-11-14(10-16(25-11)27(22,23)21(2)3)18-19-17(20-26-18)13-8-9-24-15-7-5-4-6-12(13)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyGGDKXYIKSVFVRF-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.80
Rot. Bonds4

About 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide

4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide (PubChem CID 139003824) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide
PubChem CID139003824
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CCOc3ccccc32)no1
InChIInChI=1S/C18H19N3O5S/c1-11-14(10-16(25-11)27(22,23)21(2)3)18-19-17(20-26-18)13-8-9-24-15-7-5-4-6-12(13)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyGGDKXYIKSVFVRF-UHFFFAOYSA-N
XLogP2.80
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
CID 167899817
N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
CID 120957963
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215
2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65414307
N-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274035
5-(azetidin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 65413082
4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 57243248

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide?
The IUPAC name of 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide (CID 139003824) is 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide.
What is the SMILES notation for 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide?
The canonical SMILES for 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide is Cc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CCOc3ccccc32)no1.
What is the InChIKey of 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide?
The InChIKey is GGDKXYIKSVFVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-14(10-16(25-11)27(22,23)21(2)3)18-19-17(20-26-18)13-8-9-24-15-7-5-4-6-12(13)15/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide?
4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide is sourced from PubChem (CID 139003824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).