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

C16H19NO3S — CID 17173141

IUPACN-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-12-6-7-14(19-2)15(9-12)20-3/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyBXKWGTWKOOIPND-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.97
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide (PubChem CID 17173141) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
PubChem CID17173141
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-12-6-7-14(19-2)15(9-12)20-3/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyBXKWGTWKOOIPND-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide (CID 17173141) is N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The InChIKey is BXKWGTWKOOIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-12-6-7-14(19-2)15(9-12)20-3/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-propylthiophene-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.97, 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-propylthiophene-3-carboxamide is sourced from PubChem (CID 17173141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).