N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide

C15H16FNO3S — CID 129400196

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide
SMILESCc1ccc(CNC(=O)C[S@@](=O)c2ccoc2C)cc1F
InChIInChI=1S/C15H16FNO3S/c1-10-3-4-12(7-13(10)16)8-17-15(18)9-21(19)14-5-6-20-11(14)2/h3-7H,8-9H2,1-2H3,(H,17,18)/t21-/m1/s1
InChIKeyBUDUJPBTDAOTPL-OAQYLSRUSA-N
MW309.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide (PubChem CID 129400196) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide
PubChem CID129400196
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide
SMILESCc1ccc(CNC(=O)C[S@@](=O)c2ccoc2C)cc1F
InChIInChI=1S/C15H16FNO3S/c1-10-3-4-12(7-13(10)16)8-17-15(18)9-21(19)14-5-6-20-11(14)2/h3-7H,8-9H2,1-2H3,(H,17,18)/t21-/m1/s1
InChIKeyBUDUJPBTDAOTPL-OAQYLSRUSA-N
XLogP2.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide
CID 99828595
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
2-[(R)-(2-fluorophenyl)sulfinyl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 97063129
N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
CID 97069827
2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 71917075
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169
2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 43467079

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide (CID 129400196) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide is Cc1ccc(CNC(=O)C[S@@](=O)c2ccoc2C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The InChIKey is BUDUJPBTDAOTPL-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-3-4-12(7-13(10)16)8-17-15(18)9-21(19)14-5-6-20-11(14)2/h3-7H,8-9H2,1-2H3,(H,17,18)/t21-/m1/s1.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide is sourced from PubChem (CID 129400196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).