4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide

C17H21NO2S — CID 19471659

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H21NO2S/c1-11(2)18-17(19)16-8-14(10-21-16)9-20-15-7-12(3)5-6-13(15)4/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyRXXYSWYXKANJGL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.08
Rot. Bonds5

About 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 19471659) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID19471659
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H21NO2S/c1-11(2)18-17(19)16-8-14(10-21-16)9-20-15-7-12(3)5-6-13(15)4/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyRXXYSWYXKANJGL-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19471788
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
azepan-1-yl-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471561
4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19488817
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
4-[(2,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19471645
methyl 2-[[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19471604
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide (CID 19471659) is 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is RXXYSWYXKANJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11(2)18-17(19)16-8-14(10-21-16)9-20-15-7-12(3)5-6-13(15)4/h5-8,10-11H,9H2,1-4H3,(H,18,19).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 19471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).