2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C15H13N3O3S2 — CID 40755966

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O3S2/c19-13(18-14(20)16-8-10-4-3-7-22-10)9-23-15-17-11-5-1-2-6-12(11)21-15/h1-7H,8-9H2,(H2,16,18,19,20)
InChIKeyBQTOBNVWIYFACN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.01
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 40755966) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID40755966
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O3S2/c19-13(18-14(20)16-8-10-4-3-7-22-10)9-23-15-17-11-5-1-2-6-12(11)21-15/h1-7H,8-9H2,(H2,16,18,19,20)
InChIKeyBQTOBNVWIYFACN-UHFFFAOYSA-N
XLogP3.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9006398
N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 4811630
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27268140
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836138
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523629
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122159016
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34789445
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 40755966) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(CSc1nc2ccccc2o1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is BQTOBNVWIYFACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-13(18-14(20)16-8-10-4-3-7-22-10)9-23-15-17-11-5-1-2-6-12(11)21-15/h1-7H,8-9H2,(H2,16,18,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 40755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).