(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C20H20N2O2S2 — CID 7837093

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-14(19(23)21-12-15-8-10-17(24-2)11-9-15)26-20-22-18(13-25-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyODAALLAPDLFZPO-AWEZNQCLSA-N
MW384.53 g/mol
LogP4.62
Rot. Bonds7

About (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 7837093) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID7837093
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-14(19(23)21-12-15-8-10-17(24-2)11-9-15)26-20-22-18(13-25-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyODAALLAPDLFZPO-AWEZNQCLSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
CID 8956006
methyl 4-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate
CID 51314488
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 2085992
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 7837093) is (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is ODAALLAPDLFZPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-14(19(23)21-12-15-8-10-17(24-2)11-9-15)26-20-22-18(13-25-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 384.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7837093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).