N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide

C18H23N3O4S2 — CID 97339919

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N3O4S2/c1-3-8-21(15-7-9-27(23,24)12-15)16(22)11-26-18-19-17(20-25-18)14-6-4-5-13(2)10-14/h4-6,10,15H,3,7-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDRNONYNFKYULAI-HNNXBMFYSA-N
MW409.53 g/mol
LogP2.56
Rot. Bonds7

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide (PubChem CID 97339919) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide
PubChem CID97339919
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N3O4S2/c1-3-8-21(15-7-9-27(23,24)12-15)16(22)11-26-18-19-17(20-25-18)14-6-4-5-13(2)10-14/h4-6,10,15H,3,7-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDRNONYNFKYULAI-HNNXBMFYSA-N
XLogP2.56
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7683099
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 7805582
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenyl)sulfanyl-N-propylacetamide
CID 78789039
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 7895560
N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9291786
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 7756953
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3896424
N-(1,1-dioxothiolan-3-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 24591698
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 8663270
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24580295
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 8787283
N-(1,1-dioxothiolan-3-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 17435372

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide (CID 97339919) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide is CCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide?
The InChIKey is DRNONYNFKYULAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-3-8-21(15-7-9-27(23,24)12-15)16(22)11-26-18-19-17(20-25-18)14-6-4-5-13(2)10-14/h4-6,10,15H,3,7-9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide has a molecular weight of 409.53 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 97339919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).