methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate

C23H23NO3S — CID 60528356

IUPACmethyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3S/c1-15(18-13-12-17-8-4-5-9-19(17)14-18)24-22(25)20-10-6-7-11-21(20)28-16(2)23(26)27-3/h4-16H,1-3H3,(H,24,25)
InChIKeyKPCQKYCMGMSMOO-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.98
Rot. Bonds6

About methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate

methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate (PubChem CID 60528356) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate
PubChem CID60528356
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Namemethyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3S/c1-15(18-13-12-17-8-4-5-9-19(17)14-18)24-22(25)20-10-6-7-11-21(20)28-16(2)23(26)27-3/h4-16H,1-3H3,(H,24,25)
InChIKeyKPCQKYCMGMSMOO-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
methyl 2-[2-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]sulfanylpropanoate
CID 55875724
methyl (2S)-2-[2-[[(1R)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]sulfanylpropanoate
CID 96530146
2-[2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119180729
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
methyl (2S)-2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 94033049
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 51121045
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
methyl 2-[2-(prop-2-ynylcarbamoyl)phenyl]sulfanylpropanoate
CID 60528568

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The IUPAC name of methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate (CID 60528356) is methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate is COC(=O)C(C)Sc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The InChIKey is KPCQKYCMGMSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-15(18-13-12-17-8-4-5-9-19(17)14-18)24-22(25)20-10-6-7-11-21(20)28-16(2)23(26)27-3/h4-16H,1-3H3,(H,24,25).
What are the key properties of methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate has a molecular weight of 393.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate is sourced from PubChem (CID 60528356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).