N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide

C15H22N2O4S — CID 3155135

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)17-22(19,20)13-8-6-12(7-9-13)16-15(18)14-5-4-10-21-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyKYWYHCHDERNFBT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.88
Rot. Bonds6

About N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide

N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3155135) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3155135
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)17-22(19,20)13-8-6-12(7-9-13)16-15(18)14-5-4-10-21-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyKYWYHCHDERNFBT-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3242998
(2S)-N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 900571
N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155134
N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
CID 43070773
N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 2970623
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
CID 7406873
N-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 60531642
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
(2S)-N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]phenyl]oxolane-2-carboxamide
CID 37395703
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-(cyclopentylamino)acetamide
CID 1460470
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide (CID 3155135) is N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is KYWYHCHDERNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-11(2)17-22(19,20)13-8-6-12(7-9-13)16-15(18)14-5-4-10-21-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3155135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).