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

C14H13N3O2S3 — CID 7981729

IUPACN-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccs1
InChIInChI=1S/C14H13N3O2S3/c1-9(10-4-2-6-20-10)15-12(18)8-22-14-17-16-13(19-14)11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyFJXZWJBQHZKDRA-VIFPVBQESA-N
MW351.48 g/mol
LogP3.83
Rot. Bonds6

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

N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7981729) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7981729
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC NameN-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccs1
InChIInChI=1S/C14H13N3O2S3/c1-9(10-4-2-6-20-10)15-12(18)8-22-14-17-16-13(19-14)11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyFJXZWJBQHZKDRA-VIFPVBQESA-N
XLogP3.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7981729) is N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccs1.
What is the InChIKey of N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is FJXZWJBQHZKDRA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O2S3/c1-9(10-4-2-6-20-10)15-12(18)8-22-14-17-16-13(19-14)11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7981729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).