3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

C15H20ClNO4S — CID 5054990

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H20ClNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18)
InChIKeyGBTUFHFBLURKAX-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.94
Rot. Bonds7

About 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 5054990) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID5054990
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H20ClNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18)
InChIKeyGBTUFHFBLURKAX-UHFFFAOYSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide 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-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
3-[(4-methylbenzyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3237021
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2947787
2-(benzylsulfonyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2952397
3-benzylsulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 2974815
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2896894
3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4524432
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 17225260
2-[(3-chlorophenyl)methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 40167771
3-[(2-chlorophenyl)methylsulfonyl]-N-(2,2-dimethoxyethyl)propanamide
CID 3419834
N-butyl-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CID 3421879
3-[(2-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)propanamide
CID 3659643

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (CID 5054990) is 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1Cl)NCC1CCCO1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GBTUFHFBLURKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 345.85 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 5054990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).