4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide

C23H24N2O4S — CID 17168908

IUPAC4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C23H24N2O4S/c1-3-19-15(2)30-23(20(19)21(24)26)25-22(27)16-9-11-18(12-10-16)29-14-13-28-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyCHWREESNQOIMHB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.43
Rot. Bonds9

About 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide

4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 17168908) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
PubChem CID17168908
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C23H24N2O4S/c1-3-19-15(2)30-23(20(19)21(24)26)25-22(27)16-9-11-18(12-10-16)29-14-13-28-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyCHWREESNQOIMHB-UHFFFAOYSA-N
XLogP4.43
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 17168892
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977
4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
ethyl 4-ethyl-5-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4220295
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
methyl 4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamothioylcarbamoyl]benzoate
CID 17178663
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide (CID 17168908) is 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is CHWREESNQOIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-19-15(2)30-23(20(19)21(24)26)25-22(27)16-9-11-18(12-10-16)29-14-13-28-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H2,24,26)(H,25,27).
What are the key properties of 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 17168908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).