4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide

C16H20N2O2S — CID 61114080

IUPAC4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18(8-9-20-2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11,17H2,1-2H3
InChIKeyRPSNUCWWBQHNNF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide

4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide (PubChem CID 61114080) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
PubChem CID61114080
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18(8-9-20-2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11,17H2,1-2H3
InChIKeyRPSNUCWWBQHNNF-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
N-benzyl-4-[(carbamoylamino)methyl]-N-(2-methoxyethyl)benzamide
CID 17419919
N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide (CID 61114080) is 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide?
The InChIKey is RPSNUCWWBQHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18(8-9-20-2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11,17H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide?
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61114080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).