2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide

C20H24N2O2S — CID 142239732

IUPAC2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide
SMILESC=CC1=C(/C=C\C)c2ccccc2C1SCCC(=O)NC(C)C(N)=O
InChIInChI=1S/C20H24N2O2S/c1-4-8-15-14(5-2)19(17-10-7-6-9-16(15)17)25-12-11-18(23)22-13(3)20(21)24/h4-10,13,19H,2,11-12H2,1,3H3,(H2,21,24)(H,22,23)/b8-4-
InChIKeyAEPGSXZGDGOAES-YWEYNIOJSA-N
MW356.49 g/mol
LogP3.37
Rot. Bonds8

About 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide

2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide (PubChem CID 142239732) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide.

Molecular Properties

Compound Name2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide
PubChem CID142239732
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide
SMILESC=CC1=C(/C=C\C)c2ccccc2C1SCCC(=O)NC(C)C(N)=O
InChIInChI=1S/C20H24N2O2S/c1-4-8-15-14(5-2)19(17-10-7-6-9-16(15)17)25-12-11-18(23)22-13(3)20(21)24/h4-10,13,19H,2,11-12H2,1,3H3,(H2,21,24)(H,22,23)/b8-4-
InChIKeyAEPGSXZGDGOAES-YWEYNIOJSA-N
XLogP3.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide?
The IUPAC name of 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide (CID 142239732) is 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide.
What is the SMILES notation for 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide?
The canonical SMILES for 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide is C=CC1=C(/C=C\C)c2ccccc2C1SCCC(=O)NC(C)C(N)=O.
What is the InChIKey of 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide?
The InChIKey is AEPGSXZGDGOAES-YWEYNIOJSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-8-15-14(5-2)19(17-10-7-6-9-16(15)17)25-12-11-18(23)22-13(3)20(21)24/h4-10,13,19H,2,11-12H2,1,3H3,(H2,21,24)(H,22,23)/b8-4-.
What are the key properties of 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide?
2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide has a molecular weight of 356.49 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-1-yl]sulfanyl]propanoylamino]propanamide is sourced from PubChem (CID 142239732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).