5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide

C16H19NOS — CID 7899856

IUPAC5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2)sc1C
InChIInChI=1S/C16H19NOS/c1-4-5-13-10-15(19-12(13)3)16(18)17-14-8-6-11(2)7-9-14/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyRDIMWQLLPSLNCB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.57
Rot. Bonds4

About 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide

5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide (PubChem CID 7899856) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
PubChem CID7899856
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2)sc1C
InChIInChI=1S/C16H19NOS/c1-4-5-13-10-15(19-12(13)3)16(18)17-14-8-6-11(2)7-9-14/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyRDIMWQLLPSLNCB-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide (CID 7899856) is 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(C)cc2)sc1C.
What is the InChIKey of 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide?
The InChIKey is RDIMWQLLPSLNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-5-13-10-15(19-12(13)3)16(18)17-14-8-6-11(2)7-9-14/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide?
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 7899856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).