(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide

C18H20N2O2S — CID 2675662

IUPAC(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Sc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-12-9-10-15(13(2)11-12)23-16(14-7-5-4-6-8-14)17(21)20-18(22)19-3/h4-11,16H,1-3H3,(H2,19,20,21,22)/t16-/m1/s1
InChIKeyFLJRKFIHCSIPQV-MRXNPFEDSA-N
MW328.44 g/mol
LogP3.59
Rot. Bonds4

About (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide

(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 2675662) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID2675662
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Sc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-12-9-10-15(13(2)11-12)23-16(14-7-5-4-6-8-14)17(21)20-18(22)19-3/h4-11,16H,1-3H3,(H2,19,20,21,22)/t16-/m1/s1
InChIKeyFLJRKFIHCSIPQV-MRXNPFEDSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125
(2R)-2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675016
(2R)-N-(methylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7474505
(2S)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7801778
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7805686
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
CID 119374247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide (CID 2675662) is (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](Sc1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is FLJRKFIHCSIPQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-9-10-15(13(2)11-12)23-16(14-7-5-4-6-8-14)17(21)20-18(22)19-3/h4-11,16H,1-3H3,(H2,19,20,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide?
(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 2675662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).