2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C17H20N2O3S — CID 969209

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-9-5-6-13(10(2)7-9)22-8-14(20)19-17-15(16(18)21)11(3)12(4)23-17/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyYLGLMMMLTMWKAK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.10
Rot. Bonds5

About 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 969209) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID969209
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-9-5-6-13(10(2)7-9)22-8-14(20)19-17-15(16(18)21)11(3)12(4)23-17/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyYLGLMMMLTMWKAK-UHFFFAOYSA-N
XLogP3.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1271174
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 3482744
ethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 978741
2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4960663
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
methyl 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 19199901
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501423
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 86992293
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 969209) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is YLGLMMMLTMWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9-5-6-13(10(2)7-9)22-8-14(20)19-17-15(16(18)21)11(3)12(4)23-17/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 969209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).