4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide

C18H19NO2S — CID 75431685

IUPAC4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC2CCC(C)c3ccccc32)c1
InChIInChI=1S/C18H19NO2S/c1-11-7-8-16(15-6-4-3-5-14(11)15)19-18(21)17-9-13(10-22-17)12(2)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,19,21)
InChIKeyICDWDSFDQXDPQG-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.32
Rot. Bonds3

About 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide

4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide (PubChem CID 75431685) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
PubChem CID75431685
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC2CCC(C)c3ccccc32)c1
InChIInChI=1S/C18H19NO2S/c1-11-7-8-16(15-6-4-3-5-14(11)15)19-18(21)17-9-13(10-22-17)12(2)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,19,21)
InChIKeyICDWDSFDQXDPQG-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide (CID 75431685) is 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NC2CCC(C)c3ccccc32)c1.
What is the InChIKey of 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The InChIKey is ICDWDSFDQXDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-11-7-8-16(15-6-4-3-5-14(11)15)19-18(21)17-9-13(10-22-17)12(2)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 75431685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).