ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate

C17H19NO3S — CID 7597005

IUPACethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C17H19NO3S/c1-4-21-17(20)14-7-8-22-16(14)18-15(19)10-13-6-5-11(2)9-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeyJLIYWBHJLAYTJA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 7597005) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID7597005
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C17H19NO3S/c1-4-21-17(20)14-7-8-22-16(14)18-15(19)10-13-6-5-11(2)9-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeyJLIYWBHJLAYTJA-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 41099798
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 62799998
ethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 36553918
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate (CID 7597005) is ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1C.
What is the InChIKey of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JLIYWBHJLAYTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-21-17(20)14-7-8-22-16(14)18-15(19)10-13-6-5-11(2)9-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19).
What are the key properties of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7597005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).