5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide

C21H21NO4S — CID 99633926

IUPAC5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3cccc(S(C)(=O)=O)c3C)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-4-15-8-10-16(11-9-15)18-12-13-19(26-18)21(23)22-17-6-5-7-20(14(17)2)27(3,24)25/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyJNFTVRHTGFKALM-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.47
Rot. Bonds5

About 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide

5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide (PubChem CID 99633926) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide
PubChem CID99633926
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3cccc(S(C)(=O)=O)c3C)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-4-15-8-10-16(11-9-15)18-12-13-19(26-18)21(23)22-17-6-5-7-20(14(17)2)27(3,24)25/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyJNFTVRHTGFKALM-UHFFFAOYSA-N
XLogP4.47
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)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

5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 119032734
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
CID 113368757
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide
CID 91332833
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 3436050

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide (CID 99633926) is 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide is CCc1ccc(-c2ccc(C(=O)Nc3cccc(S(C)(=O)=O)c3C)o2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is JNFTVRHTGFKALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-4-15-8-10-16(11-9-15)18-12-13-19(26-18)21(23)22-17-6-5-7-20(14(17)2)27(3,24)25/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide?
5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 99633926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).