4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide

C21H28N2O3S — CID 17168892

IUPAC4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide
SMILESCCCCCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(N)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-6-7-8-13-26-16-11-9-15(10-12-16)20(25)23-21-18(19(22)24)17(5-2)14(3)27-21/h9-12H,4-8,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyWGBABEQBZJBLFV-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.93
Rot. Bonds10

About 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide

4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide (PubChem CID 17168892) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide
PubChem CID17168892
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide
SMILESCCCCCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(N)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-6-7-8-13-26-16-11-9-15(10-12-16)20(25)23-21-18(19(22)24)17(5-2)14(3)27-21/h9-12H,4-8,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyWGBABEQBZJBLFV-UHFFFAOYSA-N
XLogP4.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
diethyl 5-[(4-hexoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19170779
ethyl 4-ethyl-5-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4220295
2-[(4-butoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4936611
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
methyl 4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamothioylcarbamoyl]benzoate
CID 17178663
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168931
ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate
CID 7521216
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide (CID 17168892) is 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide is CCCCCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(N)=O)cc1.
What is the InChIKey of 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide?
The InChIKey is WGBABEQBZJBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-6-7-8-13-26-16-11-9-15(10-12-16)20(25)23-21-18(19(22)24)17(5-2)14(3)27-21/h9-12H,4-8,13H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide?
4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17168892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).