3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide

C14H30N2O3S — CID 90789484

IUPAC3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide
SMILESCCCN(CCC)S(=O)(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C14H30N2O3S/c1-5-10-16(11-6-2)20(18,19)12-8-14(17)15-9-7-13(3)4/h13H,5-12H2,1-4H3,(H,15,17)
InChIKeyXBGNIQCEPSFQBU-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.99
Rot. Bonds11

About 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide

3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide (PubChem CID 90789484) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide
PubChem CID90789484
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide
SMILESCCCN(CCC)S(=O)(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C14H30N2O3S/c1-5-10-16(11-6-2)20(18,19)12-8-14(17)15-9-7-13(3)4/h13H,5-12H2,1-4H3,(H,15,17)
InChIKeyXBGNIQCEPSFQBU-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide (CID 90789484) is 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide is CCCN(CCC)S(=O)(=O)CCC(=O)NCCC(C)C.
What is the InChIKey of 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide?
The InChIKey is XBGNIQCEPSFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-5-10-16(11-6-2)20(18,19)12-8-14(17)15-9-7-13(3)4/h13H,5-12H2,1-4H3,(H,15,17).
What are the key properties of 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide?
3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide has a molecular weight of 306.47 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 90789484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).