3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide

C20H20N2O4S — CID 94559214

IUPAC3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C20H20N2O4S/c1-27(24,25)22-17-9-4-8-16(14-17)20(23)21-12-13-26-19-11-5-7-15-6-2-3-10-18(15)19/h2-11,14,22H,12-13H2,1H3,(H,21,23)
InChIKeyZZEFXVYUFMHHKY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.02
Rot. Bonds7

About 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide

3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide (PubChem CID 94559214) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
PubChem CID94559214
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C20H20N2O4S/c1-27(24,25)22-17-9-4-8-16(14-17)20(23)21-12-13-26-19-11-5-7-15-6-2-3-10-18(15)19/h2-11,14,22H,12-13H2,1H3,(H,21,23)
InChIKeyZZEFXVYUFMHHKY-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide 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-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 55863094
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 55751801
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide (CID 94559214) is 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCCOc2cccc3ccccc23)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide?
The InChIKey is ZZEFXVYUFMHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-27(24,25)22-17-9-4-8-16(14-17)20(23)21-12-13-26-19-11-5-7-15-6-2-3-10-18(15)19/h2-11,14,22H,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide?
3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide is sourced from PubChem (CID 94559214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).