N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide

C18H23NO4S2 — CID 90497139

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C18H23NO4S2/c1-2-11-23-15-7-9-16(10-8-15)25(21,22)19-13-18(20,14-5-6-14)17-4-3-12-24-17/h3-4,7-10,12,14,19-20H,2,5-6,11,13H2,1H3
InChIKeyIOLKOVDFPOKEIQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.11
Rot. Bonds9

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide (PubChem CID 90497139) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
PubChem CID90497139
Molecular FormulaC18H23NO4S2
Molecular Weight381.52 g/mol
Exact Mass381.11
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C18H23NO4S2/c1-2-11-23-15-7-9-16(10-8-15)25(21,22)19-13-18(20,14-5-6-14)17-4-3-12-24-17/h3-4,7-10,12,14,19-20H,2,5-6,11,13H2,1H3
InChIKeyIOLKOVDFPOKEIQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide 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

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
CID 90535535
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95982759
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
CID 90497128
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-propoxybenzenesulfonamide
CID 90523134
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
CID 90497084
4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264427

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide (CID 90497139) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC(O)(c2cccs2)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide?
The InChIKey is IOLKOVDFPOKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S2/c1-2-11-23-15-7-9-16(10-8-15)25(21,22)19-13-18(20,14-5-6-14)17-4-3-12-24-17/h3-4,7-10,12,14,19-20H,2,5-6,11,13H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 90497139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).