N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide

C16H19NO2S — CID 78768708

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
SMILESCc1ccc(CN(C)C(=O)C(C)Sc2ccccc2)o1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-14(19-12)11-17(3)16(18)13(2)20-15-7-5-4-6-8-15/h4-10,13H,11H2,1-3H3
InChIKeyFQVHTKWYNTVERM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.73
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide (PubChem CID 78768708) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
PubChem CID78768708
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
SMILESCc1ccc(CN(C)C(=O)C(C)Sc2ccccc2)o1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-14(19-12)11-17(3)16(18)13(2)20-15-7-5-4-6-8-15/h4-10,13H,11H2,1-3H3
InChIKeyFQVHTKWYNTVERM-UHFFFAOYSA-N
XLogP3.73
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
2-methyl-5-[[methyl-[2-(4-nitrophenyl)sulfanylpropanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222609
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43526164
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide (CID 78768708) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide is Cc1ccc(CN(C)C(=O)C(C)Sc2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide?
The InChIKey is FQVHTKWYNTVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-9-10-14(19-12)11-17(3)16(18)13(2)20-15-7-5-4-6-8-15/h4-10,13H,11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 78768708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).