N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide

C20H19NOS — CID 133218931

IUPACN-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c1-15(23-18-11-3-2-4-12-18)20(22)21-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,21,22)
InChIKeyMNXQNAXYPXZOOJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.64
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide

N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide (PubChem CID 133218931) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
PubChem CID133218931
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC NameN-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c1-15(23-18-11-3-2-4-12-18)20(22)21-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,21,22)
InChIKeyMNXQNAXYPXZOOJ-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide (CID 133218931) is N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide?
The InChIKey is MNXQNAXYPXZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15(23-18-11-3-2-4-12-18)20(22)21-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,21,22).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide?
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide has a molecular weight of 321.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 133218931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).