N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide

C20H26N2O4S2 — CID 50777735

IUPACN-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C20H26N2O4S2/c1-3-26-18-7-5-4-6-16(18)13-21-28(24,25)19-12-17(14-27-19)20(23)22-10-8-15(2)9-11-22/h4-7,12,14-15,21H,3,8-11,13H2,1-2H3
InChIKeyBDJZPZDEFVPYBN-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.50
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide

N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777735) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777735
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C20H26N2O4S2/c1-3-26-18-7-5-4-6-16(18)13-21-28(24,25)19-12-17(14-27-19)20(23)22-10-8-15(2)9-11-22/h4-7,12,14-15,21H,3,8-11,13H2,1-2H3
InChIKeyBDJZPZDEFVPYBN-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide 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-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958573
N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777544
N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063474
5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 61401933
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777620
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958556
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841937

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777735) is N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is BDJZPZDEFVPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-3-26-18-7-5-4-6-16(18)13-21-28(24,25)19-12-17(14-27-19)20(23)22-10-8-15(2)9-11-22/h4-7,12,14-15,21H,3,8-11,13H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 422.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).