3-(dipropylsulfamoyl)-4-phenylbutanamide

C16H26N2O3S — CID 91548503

IUPAC3-(dipropylsulfamoyl)-4-phenylbutanamide
SMILESCCCN(CCC)S(=O)(=O)C(CC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-3-10-18(11-4-2)22(20,21)15(13-16(17)19)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,17,19)
InChIKeySBMKUZFDPHEHJS-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.92
Rot. Bonds10

About 3-(dipropylsulfamoyl)-4-phenylbutanamide

3-(dipropylsulfamoyl)-4-phenylbutanamide (PubChem CID 91548503) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-(dipropylsulfamoyl)-4-phenylbutanamide.

Molecular Properties

Compound Name3-(dipropylsulfamoyl)-4-phenylbutanamide
PubChem CID91548503
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-(dipropylsulfamoyl)-4-phenylbutanamide
SMILESCCCN(CCC)S(=O)(=O)C(CC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-3-10-18(11-4-2)22(20,21)15(13-16(17)19)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,17,19)
InChIKeySBMKUZFDPHEHJS-UHFFFAOYSA-N
XLogP1.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoyl)-4-phenylbutanamide?
The IUPAC name of 3-(dipropylsulfamoyl)-4-phenylbutanamide (CID 91548503) is 3-(dipropylsulfamoyl)-4-phenylbutanamide.
What is the SMILES notation for 3-(dipropylsulfamoyl)-4-phenylbutanamide?
The canonical SMILES for 3-(dipropylsulfamoyl)-4-phenylbutanamide is CCCN(CCC)S(=O)(=O)C(CC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-(dipropylsulfamoyl)-4-phenylbutanamide?
The InChIKey is SBMKUZFDPHEHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-10-18(11-4-2)22(20,21)15(13-16(17)19)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,17,19).
What are the key properties of 3-(dipropylsulfamoyl)-4-phenylbutanamide?
3-(dipropylsulfamoyl)-4-phenylbutanamide has a molecular weight of 326.46 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoyl)-4-phenylbutanamide is sourced from PubChem (CID 91548503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).