2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

C20H16N2O2S2 — CID 9006398

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16N2O2S2/c23-18(13-26-20-21-15-9-4-5-10-16(15)24-20)22-19(17-11-6-12-25-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23)/t19-/m1/s1
InChIKeyMAJWLNIEASXNHP-LJQANCHMSA-N
MW380.49 g/mol
LogP4.89
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 9006398) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID9006398
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16N2O2S2/c23-18(13-26-20-21-15-9-4-5-10-16(15)24-20)22-19(17-11-6-12-25-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23)/t19-/m1/s1
InChIKeyMAJWLNIEASXNHP-LJQANCHMSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
(2R)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 79009461
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673730
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149659
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 46828655
4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 81064879
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (CID 9006398) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(CSc1nc2ccccc2o1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is MAJWLNIEASXNHP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-18(13-26-20-21-15-9-4-5-10-16(15)24-20)22-19(17-11-6-12-25-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23)/t19-/m1/s1.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 9006398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).