ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate

C28H25BrN2O7S — CID 23968835

IUPACethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Br)cc3)cc12
InChIInChI=1S/C28H25BrN2O7S/c1-2-37-27(32)25-23-18-21(10-13-24(23)38-26(25)19-6-4-3-5-7-19)31(28(33)30-14-16-36-17-15-30)39(34,35)22-11-8-20(29)9-12-22/h3-13,18H,2,14-17H2,1H3
InChIKeyWYKFEEMTWHIACX-UHFFFAOYSA-N
MW613.49 g/mol
LogP5.69
Rot. Bonds6

About ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 23968835) has the molecular formula C28H25BrN2O7S and a molecular weight of 613.49 g/mol. Its IUPAC name is ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID23968835
Molecular FormulaC28H25BrN2O7S
Molecular Weight613.49 g/mol
Exact Mass612.06
IUPAC Nameethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Br)cc3)cc12
InChIInChI=1S/C28H25BrN2O7S/c1-2-37-27(32)25-23-18-21(10-13-24(23)38-26(25)19-6-4-3-5-7-19)31(28(33)30-14-16-36-17-15-30)39(34,35)22-11-8-20(29)9-12-22/h3-13,18H,2,14-17H2,1H3
InChIKeyWYKFEEMTWHIACX-UHFFFAOYSA-N
XLogP5.69
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-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

ethyl 5-[butanoyl-(4-ethylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
CID 22331803
methyl 5-[benzenesulfonyl(morpholine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 23939725
ethyl 5-[(4-methoxyphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
CID 4519636
ethyl 5-[(4-bromophenyl)sulfonyl-(3-phenylprop-2-enoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 3659707
ethyl 5-[(4-tert-butylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
CID 4257944
ethyl 5-[(4-ethoxyphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate
CID 23833363
ethyl 5-[acetyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 6618100
ethyl 5-[(4-chlorobenzoyl)-(2,4,5-trimethylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
CID 23945511
ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 2340141
ethyl 5-[acetyl-(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 992564
methyl 5-[(4-bromophenyl)sulfonyl-phenoxycarbonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 23735014
ethyl 5-[butanoyl-(4-ethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 22331187

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate (CID 23968835) is ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Br)cc3)cc12.
What is the InChIKey of ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is WYKFEEMTWHIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BrN2O7S/c1-2-37-27(32)25-23-18-21(10-13-24(23)38-26(25)19-6-4-3-5-7-19)31(28(33)30-14-16-36-17-15-30)39(34,35)22-11-8-20(29)9-12-22/h3-13,18H,2,14-17H2,1H3.
What are the key properties of ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 613.49 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 23968835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).