N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide

C20H23NO3S — CID 56924988

IUPACN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO3S/c1-4-24-20-13-11-18(12-14-20)6-5-17-7-9-19(10-8-17)15-16(2)21-25(3,22)23/h7-14,16,21H,4,15H2,1-3H3
InChIKeyWUNACIDJFCABEW-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.97
Rot. Bonds6

About N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide

N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide (PubChem CID 56924988) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide
PubChem CID56924988
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO3S/c1-4-24-20-13-11-18(12-14-20)6-5-17-7-9-19(10-8-17)15-16(2)21-25(3,22)23/h7-14,16,21H,4,15H2,1-3H3
InChIKeyWUNACIDJFCABEW-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide (CID 56924988) is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide is CCOc1ccc(C#Cc2ccc(CC(C)NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide?
The InChIKey is WUNACIDJFCABEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-4-24-20-13-11-18(12-14-20)6-5-17-7-9-19(10-8-17)15-16(2)21-25(3,22)23/h7-14,16,21H,4,15H2,1-3H3.
What are the key properties of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide?
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 56924988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).