N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C16H22N4O4S — CID 9404824

IUPACN-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)N(C)CC(=O)NC(C)(C)C)o1
InChIInChI=1S/C16H22N4O4S/c1-10-11(6-7-23-10)14-18-19-15(24-14)25-9-13(22)20(5)8-12(21)17-16(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,21)
InChIKeyMKJADUFJMOEXPN-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.10
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 9404824) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID9404824
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)N(C)CC(=O)NC(C)(C)C)o1
InChIInChI=1S/C16H22N4O4S/c1-10-11(6-7-23-10)14-18-19-15(24-14)25-9-13(22)20(5)8-12(21)17-16(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,21)
InChIKeyMKJADUFJMOEXPN-UHFFFAOYSA-N
XLogP2.10
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582305
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965
N-cyclohexyl-N-methyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3651153
N-[4-(dimethylamino)phenyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7835320
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 30475769
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404917
1-(2,5-dimethylthiophen-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8944991
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78659380
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide
CID 9404661
N-tert-butyl-2-[[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 9342978

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 9404824) is N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is Cc1occc1-c1nnc(SCC(=O)N(C)CC(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is MKJADUFJMOEXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10-11(6-7-23-10)14-18-19-15(24-14)25-9-13(22)20(5)8-12(21)17-16(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,21).
What are the key properties of N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 366.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9404824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).