N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide

C14H15NO2S — CID 31505872

IUPACN-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C14H15NO2S/c1-9-7-13(18-10(9)2)14(16)15-11-5-4-6-12(8-11)17-3/h4-8H,1-3H3,(H,15,16)
InChIKeyBGHKWRHLOJNPSQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.63
Rot. Bonds3

About N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31505872) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID31505872
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C14H15NO2S/c1-9-7-13(18-10(9)2)14(16)15-11-5-4-6-12(8-11)17-3/h4-8H,1-3H3,(H,15,16)
InChIKeyBGHKWRHLOJNPSQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide
CID 143407635
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 31505872) is N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide is COc1cccc(NC(=O)c2cc(C)c(C)s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is BGHKWRHLOJNPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-7-13(18-10(9)2)14(16)15-11-5-4-6-12(8-11)17-3/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31505872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).