(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide

C18H21NO2S2 — CID 95618501

IUPAC(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCC[S@](=O)c1ccccc1
InChIInChI=1S/C18H21NO2S2/c1-15(22-14-16-8-4-2-5-9-16)18(20)19-12-13-23(21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20)/t15-,23+/m1/s1
InChIKeyRQWMUTCBDXLXFZ-CMJOXMDJSA-N
MW347.50 g/mol
LogP3.23
Rot. Bonds8

About (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide

(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide (PubChem CID 95618501) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
PubChem CID95618501
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCC[S@](=O)c1ccccc1
InChIInChI=1S/C18H21NO2S2/c1-15(22-14-16-8-4-2-5-9-16)18(20)19-12-13-23(21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20)/t15-,23+/m1/s1
InChIKeyRQWMUTCBDXLXFZ-CMJOXMDJSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(2-benzylsulfanylpropanoylamino)acetate
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(2R)-2-benzylsulfanylpropanehydrazide
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2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
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2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
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3-(2-benzylsulfanylpropanoylamino)butanoic acid
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(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
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N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
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CID 958330

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide (CID 95618501) is (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide is C[C@@H](SCc1ccccc1)C(=O)NCC[S@](=O)c1ccccc1.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide?
The InChIKey is RQWMUTCBDXLXFZ-CMJOXMDJSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-15(22-14-16-8-4-2-5-9-16)18(20)19-12-13-23(21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20)/t15-,23+/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide?
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide has a molecular weight of 347.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide is sourced from PubChem (CID 95618501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).