5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C19H19NO4S2 — CID 3674389

IUPAC5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO4S2/c1-14-4-6-15(7-5-14)12-26(22,23)13-16-8-9-18(24-16)19(21)20-11-17-3-2-10-25-17/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyWWGMTIUBDDPJGY-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.69
Rot. Bonds7

About 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 3674389) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID3674389
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO4S2/c1-14-4-6-15(7-5-14)12-26(22,23)13-16-8-9-18(24-16)19(21)20-11-17-3-2-10-25-17/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyWWGMTIUBDDPJGY-UHFFFAOYSA-N
XLogP3.69
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide 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-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
N-butyl-5-{[(4-methylphenyl)sulfonyl]methyl}-2-furamide
CID 20859591
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2908445
N-[(5-methyl-2-furyl)methyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3241846
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 662750
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
CID 2146644
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2507180
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 3674389) is 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is WWGMTIUBDDPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-14-4-6-15(7-5-14)12-26(22,23)13-16-8-9-18(24-16)19(21)20-11-17-3-2-10-25-17/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3674389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).