ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate

C24H24N2O6S2 — CID 4662247

IUPACethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O6S2/c1-2-32-24(28)21-20(17-6-4-3-5-7-17)16-33-23(21)25-22(27)18-8-10-19(11-9-18)34(29,30)26-12-14-31-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27)
InChIKeyQSTWPIDPTPYCKG-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.87
Rot. Bonds7

About ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate

ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate (PubChem CID 4662247) has the molecular formula C24H24N2O6S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
PubChem CID4662247
Molecular FormulaC24H24N2O6S2
Molecular Weight500.60 g/mol
Exact Mass500.11
IUPAC Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O6S2/c1-2-32-24(28)21-20(17-6-4-3-5-7-17)16-33-23(21)25-22(27)18-8-10-19(11-9-18)34(29,30)26-12-14-31-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27)
InChIKeyQSTWPIDPTPYCKG-UHFFFAOYSA-N
XLogP3.87
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-cyclopropyl-2-[[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 4022728
Ethyl 5-phenyl-2-[[2-(3-sulfamoylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2108163
3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
CID 100701
4-(4-Methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1184248
2-[[2-(4-Morpholinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester
CID 1189893
Ethyl 2-(p-tolylsulfonylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CID 1866916
methyl 2-(2-{[(2S)-3-methyl-2-(4-methylbenzenesulfonamido)butanoyl]oxy}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 2105155
[2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2465488
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2527188
Ethyl 6-methyl-2-{[4-(morpholin-4-ylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3244654
Ethyl 6-isopropyl-2-(4-((3-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3273047
Ethyl 6-isopropyl-2-(4-((4-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3273049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate (CID 4662247) is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The InChIKey is QSTWPIDPTPYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S2/c1-2-32-24(28)21-20(17-6-4-3-5-7-17)16-33-23(21)25-22(27)18-8-10-19(11-9-18)34(29,30)26-12-14-31-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27).
What are the key properties of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate?
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenylthiophene-3-carboxylate is sourced from PubChem (CID 4662247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).