(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide

C26H23NO2S — CID 7402902

IUPAC(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H23NO2S/c1-19(30-25-16-11-21-9-5-6-10-22(21)17-25)26(28)27-23-12-14-24(15-13-23)29-18-20-7-3-2-4-8-20/h2-17,19H,18H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyYJRIDFLKFQXULT-IBGZPJMESA-N
MW413.54 g/mol
LogP6.54
Rot. Bonds7

About (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide

(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 7402902) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID7402902
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H23NO2S/c1-19(30-25-16-11-21-9-5-6-10-22(21)17-25)26(28)27-23-12-14-24(15-13-23)29-18-20-7-3-2-4-8-20/h2-17,19H,18H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyYJRIDFLKFQXULT-IBGZPJMESA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46763374
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 8605463
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 7866717
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 18275245
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-phenylmethoxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 24591648
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide (CID 7402902) is (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide is C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is YJRIDFLKFQXULT-IBGZPJMESA-N. The full InChI is InChI=1S/C26H23NO2S/c1-19(30-25-16-11-21-9-5-6-10-22(21)17-25)26(28)27-23-12-14-24(15-13-23)29-18-20-7-3-2-4-8-20/h2-17,19H,18H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 413.54 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 7402902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).