N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C13H16N4O3S2 — CID 2592943

IUPACN-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H16N4O3S2/c1-8(2)6-14-12(19)15-10(18)7-22-13-17-16-11(20-13)9-4-3-5-21-9/h3-5,8H,6-7H2,1-2H3,(H2,14,15,18,19)
InChIKeyXFMJMVJXZNRAHD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.37
Rot. Bonds6

About N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2592943) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2592943
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H16N4O3S2/c1-8(2)6-14-12(19)15-10(18)7-22-13-17-16-11(20-13)9-4-3-5-21-9/h3-5,8H,6-7H2,1-2H3,(H2,14,15,18,19)
InChIKeyXFMJMVJXZNRAHD-UHFFFAOYSA-N
XLogP2.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582334
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 4816557
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640132
(2R)-N-propyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 8582329
N-[1-(4-ethylphenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78588057
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
N-[(2R)-octan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640251
methyl 4-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2552749
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 38924044

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2592943) is N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XFMJMVJXZNRAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8(2)6-14-12(19)15-10(18)7-22-13-17-16-11(20-13)9-4-3-5-21-9/h3-5,8H,6-7H2,1-2H3,(H2,14,15,18,19).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2592943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).