N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide

C14H15NO3S — CID 13176318

IUPACN-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cccs2)cc1OC
InChIInChI=1S/C14H15NO3S/c1-15(14(16)13-5-4-8-19-13)10-6-7-11(17-2)12(9-10)18-3/h4-9H,1-3H3
InChIKeyVRUSMIVGGMSHIS-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.04
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide

N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 13176318) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID13176318
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cccs2)cc1OC
InChIInChI=1S/C14H15NO3S/c1-15(14(16)13-5-4-8-19-13)10-6-7-11(17-2)12(9-10)18-3/h4-9H,1-3H3
InChIKeyVRUSMIVGGMSHIS-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
(2,4-dimethoxyphenyl) thiophene-2-carboxylate
CID 59558858
tert-butyl N-(3-bromo-4-methoxyphenyl)-N-(thiophene-2-carbonyl)carbamate
CID 67447629
methyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methyl(thiophene-2-carbonyl)amino]phenyl]propanoate
CID 3108331
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51124684
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide (CID 13176318) is N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide is COc1ccc(N(C)C(=O)c2cccs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is VRUSMIVGGMSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-15(14(16)13-5-4-8-19-13)10-6-7-11(17-2)12(9-10)18-3/h4-9H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide?
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 13176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).