2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide

C19H24N2O4S — CID 41416992

IUPAC2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C19H24N2O4S/c1-13-9-17(13)18-8-7-15(25-18)11-21(2)12-19(22)20-14-5-4-6-16(10-14)26(3,23)24/h4-8,10,13,17H,9,11-12H2,1-3H3,(H,20,22)/t13-,17-/m0/s1
InChIKeyIIRXKGHGNKOTBS-GUYCJALGSA-N
MW376.48 g/mol
LogP2.88
Rot. Bonds7

About 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide

2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 41416992) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
PubChem CID41416992
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C19H24N2O4S/c1-13-9-17(13)18-8-7-15(25-18)11-21(2)12-19(22)20-14-5-4-6-16(10-14)26(3,23)24/h4-8,10,13,17H,9,11-12H2,1-3H3,(H,20,22)/t13-,17-/m0/s1
InChIKeyIIRXKGHGNKOTBS-GUYCJALGSA-N
XLogP2.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416990
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 55682514
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42927357
N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
CID 17403292
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 40882664
3-(dimethylsulfamoyl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 17471417
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
CID 94489479
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 60530654
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8541550
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 42959271

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide (CID 41416992) is 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide is C[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1.
What is the InChIKey of 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is IIRXKGHGNKOTBS-GUYCJALGSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-9-17(13)18-8-7-15(25-18)11-21(2)12-19(22)20-14-5-4-6-16(10-14)26(3,23)24/h4-8,10,13,17H,9,11-12H2,1-3H3,(H,20,22)/t13-,17-/m0/s1.
What are the key properties of 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 41416992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).