3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide

C19H22N2O5S — CID 20911856

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccco3)ccc21
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-9-7-15-12-17(5-6-18(15)21)27(24,25)11-8-19(23)20(2)13-16-4-3-10-26-16/h3-6,10,12H,7-9,11,13H2,1-2H3
InChIKeySNGDXQVOOUJWHS-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.01
Rot. Bonds6

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide (PubChem CID 20911856) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide
PubChem CID20911856
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccco3)ccc21
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-9-7-15-12-17(5-6-18(15)21)27(24,25)11-8-19(23)20(2)13-16-4-3-10-26-16/h3-6,10,12H,7-9,11,13H2,1-2H3
InChIKeySNGDXQVOOUJWHS-UHFFFAOYSA-N
XLogP2.01
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(S)-1-(4-methylthiobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11519268
(S)-1-[4-(Allyloxy)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin
CID 44158326
2-(2-Furylmethylthio)-1-indolinylethan-1-one
CID 2374353
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CID 3236073
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2086440
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]-2-furamide
CID 655792
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N-(4-((2-(furan-2-yl)thiazolidin-3-yl)sulfonyl)phenyl)acetamide
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2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(2-furylmethyl)acetamide
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1-(Cyclopropylcarbonyl)-5-{[4-(2-furoyl)piperazin-1-yl]sulfonyl}indoline
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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide (CID 20911856) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide is CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccco3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The InChIKey is SNGDXQVOOUJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(22)21-9-7-15-12-17(5-6-18(15)21)27(24,25)11-8-19(23)20(2)13-16-4-3-10-26-16/h3-6,10,12H,7-9,11,13H2,1-2H3.
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide has a molecular weight of 390.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 20911856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).