N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C18H23NO3S2 — CID 71781441

IUPACN-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1C
InChIInChI=1S/C18H23NO3S2/c1-3-22-18-9-8-17(13-14(18)2)24(20,21)19(15-6-7-15)11-10-16-5-4-12-23-16/h4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3
InChIKeyPPZBRDCQPMQPLM-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.85
Rot. Bonds8

About N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 71781441) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID71781441
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC NameN-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1C
InChIInChI=1S/C18H23NO3S2/c1-3-22-18-9-8-17(13-14(18)2)24(20,21)19(15-6-7-15)11-10-16-5-4-12-23-16/h4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3
InChIKeyPPZBRDCQPMQPLM-UHFFFAOYSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide 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-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 71781441) is N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is PPZBRDCQPMQPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-3-22-18-9-8-17(13-14(18)2)24(20,21)19(15-6-7-15)11-10-16-5-4-12-23-16/h4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 71781441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).