3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide

C19H25NO3S — CID 60583905

IUPAC3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(C)s2)C(C)C)cc(OC)c1C
InChIInChI=1S/C19H25NO3S/c1-12(2)20(11-16-8-7-13(3)24-16)19(21)15-9-17(22-5)14(4)18(10-15)23-6/h7-10,12H,11H2,1-6H3
InChIKeyDDKKRINSQDYJPH-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.43
Rot. Bonds6

About 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide

3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 60583905) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID60583905
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(C)s2)C(C)C)cc(OC)c1C
InChIInChI=1S/C19H25NO3S/c1-12(2)20(11-16-8-7-13(3)24-16)19(21)15-9-17(22-5)14(4)18(10-15)23-6/h7-10,12H,11H2,1-6H3
InChIKeyDDKKRINSQDYJPH-UHFFFAOYSA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide (CID 60583905) is 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide is COc1cc(C(=O)N(Cc2ccc(C)s2)C(C)C)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is DDKKRINSQDYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-12(2)20(11-16-8-7-13(3)24-16)19(21)15-9-17(22-5)14(4)18(10-15)23-6/h7-10,12H,11H2,1-6H3.
What are the key properties of 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide?
3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 347.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60583905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).