N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide

C19H21NO2S — CID 24658670

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(Sc2ccc(NC(=O)C3CCCO3)cc2)cc1C
InChIInChI=1S/C19H21NO2S/c1-13-5-8-17(12-14(13)2)23-16-9-6-15(7-10-16)20-19(21)18-4-3-11-22-18/h5-10,12,18H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyABDAFDQCWIXFSU-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide (PubChem CID 24658670) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
PubChem CID24658670
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(Sc2ccc(NC(=O)C3CCCO3)cc2)cc1C
InChIInChI=1S/C19H21NO2S/c1-13-5-8-17(12-14(13)2)23-16-9-6-15(7-10-16)20-19(21)18-4-3-11-22-18/h5-10,12,18H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyABDAFDQCWIXFSU-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
CID 8701259
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
CID 43070773

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide (CID 24658670) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide is Cc1ccc(Sc2ccc(NC(=O)C3CCCO3)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide?
The InChIKey is ABDAFDQCWIXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13-5-8-17(12-14(13)2)23-16-9-6-15(7-10-16)20-19(21)18-4-3-11-22-18/h5-10,12,18H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 24658670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).