[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

C21H24N2O6S — CID 2997764

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O6S/c1-28-19-7-3-2-6-17(19)14-22-20(24)15-29-21(25)16-8-10-18(11-9-16)30(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyVERGHHDXGDIDDY-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.95
Rot. Bonds8

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 2997764) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID2997764
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O6S/c1-28-19-7-3-2-6-17(19)14-22-20(24)15-29-21(25)16-8-10-18(11-9-16)30(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyVERGHHDXGDIDDY-UHFFFAOYSA-N
XLogP1.95
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate 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

Repinotan
CID 198757
Cyprosulfamide
CID 11707647
Glisentide
CID 65779
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447
Repinotan hydrochloride
CID 198756
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
4-[(dimethylamino)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2293105
2-(N-[4-(1,1-Dioxido-3-oxo-2,3-dihydro-benzisothiazol-2-yl)butyl]aminomethyl)chroman
CID 9822317
N-[2-(2-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456568
2-methoxy-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431463
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(2-methoxybenzyl)acetamide
CID 1085692

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate (CID 2997764) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate is COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is VERGHHDXGDIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-28-19-7-3-2-6-17(19)14-22-20(24)15-29-21(25)16-8-10-18(11-9-16)30(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 432.50 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2997764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).