2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide

C17H19NO5S — CID 47066495

IUPAC2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-22-15-10-5-9-14(17(18)19)16(15)23-11-6-12-24(20,21)13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3,(H2,18,19)
InChIKeyBFOJIBZOLDMZKG-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.04
Rot. Bonds8

About 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide

2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide (PubChem CID 47066495) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
PubChem CID47066495
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-22-15-10-5-9-14(17(18)19)16(15)23-11-6-12-24(20,21)13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3,(H2,18,19)
InChIKeyBFOJIBZOLDMZKG-UHFFFAOYSA-N
XLogP2.04
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide 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

3-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190588
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-[9-(benzenesulfonyl)nonoxy]-3-methoxybenzaldehyde
CID 88698344
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
3-methoxy-2-(2-propylsulfonylethoxy)benzoic acid
CID 106721769
3-methoxy-2-pentoxybenzenecarbothioamide
CID 20987605
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
CID 26217588
3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 22687712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide?
The IUPAC name of 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide (CID 47066495) is 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide is COc1cccc(C(N)=O)c1OCCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide?
The InChIKey is BFOJIBZOLDMZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-15-10-5-9-14(17(18)19)16(15)23-11-6-12-24(20,21)13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3,(H2,18,19).
What are the key properties of 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide?
2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide has a molecular weight of 349.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide is sourced from PubChem (CID 47066495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).