ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate

C24H25NO5S2 — CID 16837962

IUPACethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C24H25NO5S2/c1-4-30-24(27)23-20(15-21(31-23)18-8-6-5-7-9-18)25-22(26)14-17-10-12-19(13-11-17)32(28,29)16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,25,26)
InChIKeyCUUAACDVCSPOFY-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.96
Rot. Bonds8

About ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate

ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 16837962) has the molecular formula C24H25NO5S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
PubChem CID16837962
Molecular FormulaC24H25NO5S2
Molecular Weight471.60 g/mol
Exact Mass471.12
IUPAC Nameethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C24H25NO5S2/c1-4-30-24(27)23-20(15-21(31-23)18-8-6-5-7-9-18)25-22(26)14-17-10-12-19(13-11-17)32(28,29)16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,25,26)
InChIKeyCUUAACDVCSPOFY-UHFFFAOYSA-N
XLogP4.96
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 3-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 41139431
ethyl 5-phenyl-3-[[2-[2-[(2-phenylacetyl)amino]acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 30195276
methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
ethyl 3-[[2-(2-chloro-5-nitrophenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 23931565
ethyl 3-[[2-[(2S)-2-phenoxypropanoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 2103912
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 24577801
ethyl 3-[[2-[(E)-but-2-enoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 7698941
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8609411
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
ethyl 4-cyano-3-methyl-5-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16838066
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate (CID 16837962) is ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is CUUAACDVCSPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S2/c1-4-30-24(27)23-20(15-21(31-23)18-8-6-5-7-9-18)25-22(26)14-17-10-12-19(13-11-17)32(28,29)16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,25,26).
What are the key properties of ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate?
ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 471.60 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 16837962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).