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

C16H17ClN2O3S — CID 1137511

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-3-12-9(2)23-16(14(12)15(18)21)19-13(20)8-22-11-6-4-10(17)5-7-11/h4-7H,3,8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyPHWJGUDODJSANW-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.39
Rot. Bonds6

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

2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 1137511) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID1137511
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-3-12-9(2)23-16(14(12)15(18)21)19-13(20)8-22-11-6-4-10(17)5-7-11/h4-7H,3,8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyPHWJGUDODJSANW-UHFFFAOYSA-N
XLogP3.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[2-(3-chlorophenoxy)propanoyl]amino}-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3396289
Methyl 2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 4640583
Ethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 15991120
4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(((4-chlorophenoxy)acetyl)amino)-, ethyl ester
CID 978362
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
2-({3-[(4-Chlorophenoxy)methyl]benzoyl}amino)-5-isopropyl-3-thiophenecarboxamide
CID 997178
Ethyl 5-acetyl-4-methyl-2-(2-phenoxyacetamido)thiophene-3-carboxylate
CID 1105822
2-{[(4-chlorophenoxy)acetyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1821611
2-{[2-(4-chlorophenoxy)propanoyl]amino}-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3850246
2-{[2-(4-Chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3921983
Methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4230544
2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2078783

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 1137511) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is PHWJGUDODJSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-12-9(2)23-16(14(12)15(18)21)19-13(20)8-22-11-6-4-10(17)5-7-11/h4-7H,3,8H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1137511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).