2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide

C23H29N3O5S — CID 651310

IUPAC2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C23H29N3O5S/c27-22(24-16-20-10-7-15-31-20)18-26(14-13-19-8-3-1-4-9-19)23(28)17-25-32(29,30)21-11-5-2-6-12-21/h1-6,8-9,11-12,20,25H,7,10,13-18H2,(H,24,27)
InChIKeyRYYNVTVHLJKARG-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.33
Rot. Bonds11

About 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide

2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide (PubChem CID 651310) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide
PubChem CID651310
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C23H29N3O5S/c27-22(24-16-20-10-7-15-31-20)18-26(14-13-19-8-3-1-4-9-19)23(28)17-25-32(29,30)21-11-5-2-6-12-21/h1-6,8-9,11-12,20,25H,7,10,13-18H2,(H,24,27)
InChIKeyRYYNVTVHLJKARG-UHFFFAOYSA-N
XLogP1.33
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide 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

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
N~2~-methyl-N-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2188522
N~2~-(4-bromobenzyl)-N~2~-(phenylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 2912534
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
N-(2-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206899
N-(4-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206901
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
2-[(2-Benzenesulfonylamino-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-cyclopentyl-3-methyl-butyramide
CID 3207190

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide (CID 651310) is 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide is O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide?
The InChIKey is RYYNVTVHLJKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c27-22(24-16-20-10-7-15-31-20)18-26(14-13-19-8-3-1-4-9-19)23(28)17-25-32(29,30)21-11-5-2-6-12-21/h1-6,8-9,11-12,20,25H,7,10,13-18H2,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide?
2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide has a molecular weight of 459.57 g/mol, XLogP of 1.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 651310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).