4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C16H20N4O3S — CID 30776681

IUPAC4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1noc(CSc2ccc(C(=O)NCC(=O)NC(C)C)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)18-14(21)8-17-16(22)12-4-6-13(7-5-12)24-9-15-19-11(3)20-23-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyWQDJCTCGXNTTFP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.92
Rot. Bonds7

About 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 30776681) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID30776681
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1noc(CSc2ccc(C(=O)NCC(=O)NC(C)C)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)18-14(21)8-17-16(22)12-4-6-13(7-5-12)24-9-15-19-11(3)20-23-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyWQDJCTCGXNTTFP-UHFFFAOYSA-N
XLogP1.92
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120830474
methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 30898964
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]benzamide
CID 30777843
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2R)-2-phenylbutyl]benzamide
CID 30777841
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
CID 110677310
2-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid
CID 113371755
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42942880
N-(2-aminoethyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886495
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60977181

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 30776681) is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is Cc1noc(CSc2ccc(C(=O)NCC(=O)NC(C)C)cc2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is WQDJCTCGXNTTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)18-14(21)8-17-16(22)12-4-6-13(7-5-12)24-9-15-19-11(3)20-23-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 30776681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).