[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C26H33N3O7S — CID 3336240

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H33N3O7S/c1-18-5-10-21(37(33,34)29-11-13-35-14-12-29)15-22(18)28-23(30)17-36-24(31)16-27-25(32)19-6-8-20(9-7-19)26(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,32)(H,28,30)
InChIKeyPIYYKROMSGSQCG-UHFFFAOYSA-N
MW531.63 g/mol
LogP2.23
Rot. Bonds8

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 3336240) has the molecular formula C26H33N3O7S and a molecular weight of 531.63 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID3336240
Molecular FormulaC26H33N3O7S
Molecular Weight531.63 g/mol
Exact Mass531.20
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H33N3O7S/c1-18-5-10-21(37(33,34)29-11-13-35-14-12-29)15-22(18)28-23(30)17-36-24(31)16-27-25(32)19-6-8-20(9-7-19)26(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,32)(H,28,30)
InChIKeyPIYYKROMSGSQCG-UHFFFAOYSA-N
XLogP2.23
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate 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

[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide
CID 2312132
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 3242167
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3401824
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
CID 3473129
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 3498913
[2-[5-(Diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3530632
2-[4-(Aminosulfonyl)anilino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate
CID 4400331
[2-Oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4422973
[2-(3-Acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4536994
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4660250

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 3336240) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is PIYYKROMSGSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O7S/c1-18-5-10-21(37(33,34)29-11-13-35-14-12-29)15-22(18)28-23(30)17-36-24(31)16-27-25(32)19-6-8-20(9-7-19)26(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,32)(H,28,30).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 531.63 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 3336240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).