ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C23H29N3O6S — CID 2336193

IUPACethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C23H29N3O6S/c1-4-24-20-9-7-17(23(28)32-5-2)14-21(20)25-22(27)19-15-18(8-6-16(19)3)33(29,30)26-10-12-31-13-11-26/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,25,27)
InChIKeyNXJYZSDGVPTPAT-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.88
Rot. Bonds8

About ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 2336193) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID2336193
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Nameethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C23H29N3O6S/c1-4-24-20-9-7-17(23(28)32-5-2)14-21(20)25-22(27)19-15-18(8-6-16(19)3)33(29,30)26-10-12-31-13-11-26/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,25,27)
InChIKeyNXJYZSDGVPTPAT-UHFFFAOYSA-N
XLogP2.88
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate 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 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
CID 137349318
1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 648497
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
methyl 4-({N-benzyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1315321
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081
Methyl 4-[(3-{4-[(ethylamino)sulfonyl]phenyl}propanoyl)amino]benzoate
CID 2242819
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 2481484
[2-(2,3-Dimethylanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557091
Ethyl 3-{[(4-fluorophenyl)sulfonyl]amino}-4-morpholinobenzoate
CID 2818628
Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 2979567
Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
CID 3381997
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 4848370

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 2336193) is ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is NXJYZSDGVPTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-4-24-20-9-7-17(23(28)32-5-2)14-21(20)25-22(27)19-15-18(8-6-16(19)3)33(29,30)26-10-12-31-13-11-26/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,25,27).
What are the key properties of ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 475.57 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 2336193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).