(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide

C15H22N2O3S — CID 95277975

IUPAC(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCOc1cccc(CS[C@H](C)C(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C15H22N2O3S/c1-10(2)16-15(19)17-14(18)11(3)21-9-12-6-5-7-13(8-12)20-4/h5-8,10-11H,9H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
InChIKeyRFNJTVINYMYCKK-LLVKDONJSA-N
MW310.42 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide

(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 95277975) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID95277975
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCOc1cccc(CS[C@H](C)C(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C15H22N2O3S/c1-10(2)16-15(19)17-14(18)11(3)21-9-12-6-5-7-13(8-12)20-4/h5-8,10-11H,9H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
InChIKeyRFNJTVINYMYCKK-LLVKDONJSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
CID 166402330
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93488322
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
CID 7640872
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide (CID 95277975) is (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide is COc1cccc(CS[C@H](C)C(=O)NC(=O)NC(C)C)c1.
What is the InChIKey of (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is RFNJTVINYMYCKK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(2)16-15(19)17-14(18)11(3)21-9-12-6-5-7-13(8-12)20-4/h5-8,10-11H,9H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide?
(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 95277975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).