(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

C20H16F3NOS — CID 7402921

IUPAC(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NOS/c1-13(26-18-11-6-14-4-2-3-5-15(14)12-18)19(25)24-17-9-7-16(8-10-17)20(21,22)23/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyBGMXNRKTJMHMBB-ZDUSSCGKSA-N
MW375.42 g/mol
LogP5.98
Rot. Bonds4

About (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7402921) has the molecular formula C20H16F3NOS and a molecular weight of 375.42 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7402921
Molecular FormulaC20H16F3NOS
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NOS/c1-13(26-18-11-6-14-4-2-3-5-15(14)12-18)19(25)24-17-9-7-16(8-10-17)20(21,22)23/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyBGMXNRKTJMHMBB-ZDUSSCGKSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7484755
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902
(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7468566
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 136684699
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7402921) is (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BGMXNRKTJMHMBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16F3NOS/c1-13(26-18-11-6-14-4-2-3-5-15(14)12-18)19(25)24-17-9-7-16(8-10-17)20(21,22)23/h2-13H,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 375.42 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7402921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).