(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide

C14H14N2O2S — CID 2500778

IUPAC(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)NC(N)=O
InChIInChI=1S/C14H14N2O2S/c1-9(13(17)16-14(15)18)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H3,15,16,17,18)/t9-/m0/s1
InChIKeyOCYIPQXPJZCZKY-VIFPVBQESA-N
MW274.35 g/mol
LogP2.52
Rot. Bonds3

About (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide

(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide (PubChem CID 2500778) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
PubChem CID2500778
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)NC(N)=O
InChIInChI=1S/C14H14N2O2S/c1-9(13(17)16-14(15)18)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H3,15,16,17,18)/t9-/m0/s1
InChIKeyOCYIPQXPJZCZKY-VIFPVBQESA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
(2R)-N-carbamoyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 7652669
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide (CID 2500778) is (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide is C[C@H](Sc1ccc2ccccc2c1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide?
The InChIKey is OCYIPQXPJZCZKY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9(13(17)16-14(15)18)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H3,15,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide?
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide has a molecular weight of 274.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide is sourced from PubChem (CID 2500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).