N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H13N3O2S2 — CID 42885562

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1nncs1)c1cc2ccccc2o1
InChIInChI=1S/C14H13N3O2S2/c1-9(12-6-10-4-2-3-5-11(10)19-12)16-13(18)7-20-14-17-15-8-21-14/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeyIPEGUKISCGTVAI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 42885562) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID42885562
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1nncs1)c1cc2ccccc2o1
InChIInChI=1S/C14H13N3O2S2/c1-9(12-6-10-4-2-3-5-11(10)19-12)16-13(18)7-20-14-17-15-8-21-14/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeyIPEGUKISCGTVAI-UHFFFAOYSA-N
XLogP3.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8511819
N-(1-naphthalen-1-ylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42897579
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 46828655
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582334
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8880155
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17429495
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8953766
2-[3-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]acetamide
CID 42935998

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 42885562) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CC(NC(=O)CSc1nncs1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is IPEGUKISCGTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9(12-6-10-4-2-3-5-11(10)19-12)16-13(18)7-20-14-17-15-8-21-14/h2-6,8-9H,7H2,1H3,(H,16,18).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 42885562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).