ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate

C22H29N3O6S — CID 24624008

IUPACethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H29N3O6S/c1-2-30-22(26)18-7-12-31-21(18)16-23-19-15-17(5-6-20(19)24-8-3-4-9-24)32(27,28)25-10-13-29-14-11-25/h5-7,12,15,23H,2-4,8-11,13-14,16H2,1H3
InChIKeyZCRBIIJXBUEYBK-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.69
Rot. Bonds8

About ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate

ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate (PubChem CID 24624008) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate
PubChem CID24624008
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Nameethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H29N3O6S/c1-2-30-22(26)18-7-12-31-21(18)16-23-19-15-17(5-6-20(19)24-8-3-4-9-24)32(27,28)25-10-13-29-14-11-25/h5-7,12,15,23H,2-4,8-11,13-14,16H2,1H3
InChIKeyZCRBIIJXBUEYBK-UHFFFAOYSA-N
XLogP2.69
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate 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

methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate (CID 24624008) is ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate?
The InChIKey is ZCRBIIJXBUEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-2-30-22(26)18-7-12-31-21(18)16-23-19-15-17(5-6-20(19)24-8-3-4-9-24)32(27,28)25-10-13-29-14-11-25/h5-7,12,15,23H,2-4,8-11,13-14,16H2,1H3.
What are the key properties of ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate?
ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 24624008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).