2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide

C21H28N2O3S — CID 17168955

IUPAC2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C(N)=O
InChIInChI=1S/C21H28N2O3S/c1-6-12(3)16-10-8-9-11-17(16)26-13(4)20(25)23-21-18(19(22)24)15(7-2)14(5)27-21/h8-13H,6-7H2,1-5H3,(H2,22,24)(H,23,25)
InChIKeyZKULSBUJVVMMNK-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.64
Rot. Bonds8

About 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 17168955) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID17168955
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C(N)=O
InChIInChI=1S/C21H28N2O3S/c1-6-12(3)16-10-8-9-11-17(16)26-13(4)20(25)23-21-18(19(22)24)15(7-2)14(5)27-21/h8-13H,6-7H2,1-5H3,(H2,22,24)(H,23,25)
InChIKeyZKULSBUJVVMMNK-UHFFFAOYSA-N
XLogP4.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1370889
4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 7378277
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 7425464
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4248539
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
CID 46735872
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 17168955) is 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C(N)=O.
What is the InChIKey of 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is ZKULSBUJVVMMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-12(3)16-10-8-9-11-17(16)26-13(4)20(25)23-21-18(19(22)24)15(7-2)14(5)27-21/h8-13H,6-7H2,1-5H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17168955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).