2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide

C19H23NO3S — CID 134833029

IUPAC2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccccc1-c1ccc(C2(C)OCCO2)s1
InChIInChI=1S/C19H23NO3S/c1-13(2)18(21)20-12-14-6-4-5-7-15(14)16-8-9-17(24-16)19(3)22-10-11-23-19/h4-9,13H,10-12H2,1-3H3,(H,20,21)
InChIKeyRDUMUGJRAXBVOX-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide

2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide (PubChem CID 134833029) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide
PubChem CID134833029
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccccc1-c1ccc(C2(C)OCCO2)s1
InChIInChI=1S/C19H23NO3S/c1-13(2)18(21)20-12-14-6-4-5-7-15(14)16-8-9-17(24-16)19(3)22-10-11-23-19/h4-9,13H,10-12H2,1-3H3,(H,20,21)
InChIKeyRDUMUGJRAXBVOX-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide (CID 134833029) is 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide is CC(C)C(=O)NCc1ccccc1-c1ccc(C2(C)OCCO2)s1.
What is the InChIKey of 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide?
The InChIKey is RDUMUGJRAXBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13(2)18(21)20-12-14-6-4-5-7-15(14)16-8-9-17(24-16)19(3)22-10-11-23-19/h4-9,13H,10-12H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide?
2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 134833029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).