(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide

C15H16ClNO2S2 — CID 95599579

IUPAC(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-11(21(19)10-13-7-8-14(16)20-13)15(18)17-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-,21+/m0/s1
InChIKeyYTMFQMDVNGASTK-WIUDPPPLSA-N
MW341.89 g/mol
LogP3.36
Rot. Bonds6

About (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide

(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide (PubChem CID 95599579) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
PubChem CID95599579
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC Name(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-11(21(19)10-13-7-8-14(16)20-13)15(18)17-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-,21+/m0/s1
InChIKeyYTMFQMDVNGASTK-WIUDPPPLSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599465
(2R)-N-benzyl-2-[(S)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599464
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
2-[(5-chlorothiophen-2-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355772
(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
CID 95599295
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
CID 95599592
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide (CID 95599579) is (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide is C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(Cl)s1.
What is the InChIKey of (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide?
The InChIKey is YTMFQMDVNGASTK-WIUDPPPLSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-11(21(19)10-13-7-8-14(16)20-13)15(18)17-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-,21+/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide?
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide has a molecular weight of 341.89 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95599579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).