N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide

C19H20N4O4S — CID 7808648

IUPACN-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H20N4O4S/c1-3-13-7-4-5-8-14(13)20-16(24)11-23(2)17(25)12-28-19-22-21-18(27-19)15-9-6-10-26-15/h4-10H,3,11-12H2,1-2H3,(H,20,24)
InChIKeyNEBVLYSEMUVWDN-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.08
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide

N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 7808648) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
PubChem CID7808648
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H20N4O4S/c1-3-13-7-4-5-8-14(13)20-16(24)11-23(2)17(25)12-28-19-22-21-18(27-19)15-9-6-10-26-15/h4-10H,3,11-12H2,1-2H3,(H,20,24)
InChIKeyNEBVLYSEMUVWDN-UHFFFAOYSA-N
XLogP3.08
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 2682449
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CID 7808654
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CID 1303799
N-(2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2972145
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
N-[(4-fluorophenyl)methyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8663313
N-(2-ethylphenyl)-2-[methyl-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 2545703
N-[(3-fluorophenyl)methyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8663311
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 56731749
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 18201786
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676389

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide (CID 7808648) is N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccco2)o1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is NEBVLYSEMUVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-13-7-4-5-8-14(13)20-16(24)11-23(2)17(25)12-28-19-22-21-18(27-19)15-9-6-10-26-15/h4-10H,3,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 7808648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).