(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide

C20H18N2O2S2 — CID 2470602

IUPAC(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S2/c1-13-12-25-20(21-13)26-18(15-7-4-3-5-8-15)19(24)22-17-10-6-9-16(11-17)14(2)23/h3-12,18H,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUMCLSHGXCIBZCU-GOSISDBHSA-N
MW382.51 g/mol
LogP5.13
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide

(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 2470602) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID2470602
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S2/c1-13-12-25-20(21-13)26-18(15-7-4-3-5-8-15)19(24)22-17-10-6-9-16(11-17)14(2)23/h3-12,18H,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUMCLSHGXCIBZCU-GOSISDBHSA-N
XLogP5.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
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(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
4-fluoro-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
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4-methoxy-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18912987
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508641
(2S)-N-(3-acetylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 135794417
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
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N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide (CID 2470602) is (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is UMCLSHGXCIBZCU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-13-12-25-20(21-13)26-18(15-7-4-3-5-8-15)19(24)22-17-10-6-9-16(11-17)14(2)23/h3-12,18H,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide?
(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 382.51 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 2470602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).