N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide

C17H26N2O4S — CID 3987088

IUPACN-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-11-19(12-4-2)24(21,22)15-9-7-14(8-10-15)18-17(20)16-6-5-13-23-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyMDBMFNUGYLXQPW-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.61
Rot. Bonds8

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

N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3987088) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3987088
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-11-19(12-4-2)24(21,22)15-9-7-14(8-10-15)18-17(20)16-6-5-13-23-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyMDBMFNUGYLXQPW-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide (CID 3987088) is N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is MDBMFNUGYLXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-11-19(12-4-2)24(21,22)15-9-7-14(8-10-15)18-17(20)16-6-5-13-23-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3987088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).