N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide

C17H21NO3S — CID 134059555

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)sc1C
InChIInChI=1S/C17H21NO3S/c1-5-6-12-9-16(22-11(12)2)17(19)18-13-7-8-14(20-3)15(10-13)21-4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyVMGDEPXFACCNFU-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.28
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 134059555) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID134059555
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)sc1C
InChIInChI=1S/C17H21NO3S/c1-5-6-12-9-16(22-11(12)2)17(19)18-13-7-8-14(20-3)15(10-13)21-4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyVMGDEPXFACCNFU-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N-(6-methoxy-3-pyridinyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9210848
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9207791
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
4-ethyl-N-(4-methoxy-3-sulfamoylphenyl)-5-propylthiophene-2-carboxamide
CID 9378750
N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
CID 17173141
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418949
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 134059555) is N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)sc1C.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is VMGDEPXFACCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-6-12-9-16(22-11(12)2)17(19)18-13-7-8-14(20-3)15(10-13)21-4/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 134059555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).