ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate

C21H24N2O6S — CID 38011110

IUPACethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O6S/c1-4-29-21(25)15-7-9-17(14(2)12-15)22-30(26,27)16-8-10-19(28-3)18(13-16)23-11-5-6-20(23)24/h7-10,12-13,22H,4-6,11H2,1-3H3
InChIKeyVGYVEHUXHXNHOS-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.11
Rot. Bonds7

About ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate

ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate (PubChem CID 38011110) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
PubChem CID38011110
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Nameethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O6S/c1-4-29-21(25)15-7-9-17(14(2)12-15)22-30(26,27)16-8-10-19(28-3)18(13-16)23-11-5-6-20(23)24/h7-10,12-13,22H,4-6,11H2,1-3H3
InChIKeyVGYVEHUXHXNHOS-UHFFFAOYSA-N
XLogP3.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate with MolForge

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 132665070
ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 30385367
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
4-acetyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 39873991
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
CID 51114809
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
ethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619421
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
N-[4-(diethylaminomethyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28636471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate (CID 38011110) is ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(C)c1.
What is the InChIKey of ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate?
The InChIKey is VGYVEHUXHXNHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-4-29-21(25)15-7-9-17(14(2)12-15)22-30(26,27)16-8-10-19(28-3)18(13-16)23-11-5-6-20(23)24/h7-10,12-13,22H,4-6,11H2,1-3H3.
What are the key properties of ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate?
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate has a molecular weight of 432.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate is sourced from PubChem (CID 38011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).