N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide

C14H20N2O4S — CID 42904547

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCO2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-10-6-7-11(9-13(10)21(18,19)16(2)3)15-14(17)12-5-4-8-20-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZRGDICZKJYKLMW-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.36
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide (PubChem CID 42904547) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
PubChem CID42904547
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCO2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-10-6-7-11(9-13(10)21(18,19)16(2)3)15-14(17)12-5-4-8-20-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZRGDICZKJYKLMW-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide (CID 42904547) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)C2CCCO2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide?
The InChIKey is ZRGDICZKJYKLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-6-7-11(9-13(10)21(18,19)16(2)3)15-14(17)12-5-4-8-20-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42904547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).