(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide

C19H22FNOS — CID 7284399

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-4-13(2)17-7-5-6-8-18(17)21-19(22)14(3)23-16-11-9-15(20)10-12-16/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyKVYSCSXCTPRLLF-ZIAGYGMSSA-N
MW331.46 g/mol
LogP5.46
Rot. Bonds6

About (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7284399) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7284399
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-4-13(2)17-7-5-6-8-18(17)21-19(22)14(3)23-16-11-9-15(20)10-12-16/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyKVYSCSXCTPRLLF-ZIAGYGMSSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
(2R)-2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 7989566
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499841
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651134
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide (CID 7284399) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is KVYSCSXCTPRLLF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-4-13(2)17-7-5-6-8-18(17)21-19(22)14(3)23-16-11-9-15(20)10-12-16/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7284399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).