(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide

C20H16N2O2S — CID 7464840

IUPAC(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
SMILESC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H16N2O2S/c1-13(25-20-22-17-10-4-5-12-18(17)24-20)19(23)21-16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyUJZOJJWIIVQCJI-ZDUSSCGKSA-N
MW348.43 g/mol
LogP5.10
Rot. Bonds4

About (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide

(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide (PubChem CID 7464840) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
PubChem CID7464840
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
SMILESC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H16N2O2S/c1-13(25-20-22-17-10-4-5-12-18(17)24-20)19(23)21-16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyUJZOJJWIIVQCJI-ZDUSSCGKSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylbutanamide
CID 2891403
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CID 18075869
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 40810410
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23886481
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 23914569
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 7756516
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7756270
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-cyanophenyl)propanamide
CID 7464873
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-difluorophenyl)propanamide
CID 46619454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide (CID 7464840) is (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide is C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide?
The InChIKey is UJZOJJWIIVQCJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13(25-20-22-17-10-4-5-12-18(17)24-20)19(23)21-16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide?
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 7464840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).