2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide

C18H23NO4S — CID 125140637

IUPAC2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cc(C)oc2C)[C@@H](C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23NO4S/c1-11-6-8-15(9-7-11)17(14(4)24(5,21)22)19-18(20)16-10-12(2)23-13(16)3/h6-10,14,17H,1-5H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyKOKSFDCIUCZWKN-RHSMWYFYSA-N
MW349.45 g/mol
LogP3.11
Rot. Bonds5

About 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide

2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide (PubChem CID 125140637) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
PubChem CID125140637
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cc(C)oc2C)[C@@H](C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23NO4S/c1-11-6-8-15(9-7-11)17(14(4)24(5,21)22)19-18(20)16-10-12(2)23-13(16)3/h6-10,14,17H,1-5H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyKOKSFDCIUCZWKN-RHSMWYFYSA-N
XLogP3.11
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-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

2,5-dimethyl-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
CID 125140638
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
3-(4-bromothiophen-2-yl)-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]propanamide
CID 124890247
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
(1R,2R,4S)-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 129432686
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide (CID 125140637) is 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide is Cc1ccc([C@H](NC(=O)c2cc(C)oc2C)[C@@H](C)S(C)(=O)=O)cc1.
What is the InChIKey of 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide?
The InChIKey is KOKSFDCIUCZWKN-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-11-6-8-15(9-7-11)17(14(4)24(5,21)22)19-18(20)16-10-12(2)23-13(16)3/h6-10,14,17H,1-5H3,(H,19,20)/t14-,17-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide?
2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide is sourced from PubChem (CID 125140637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).