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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Related Compounds

benzyl N-[(2S,3R)-4-[benzenesulfonyl(propyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 10300405
3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
CID 26514081
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
N,N-dipropylbenzenesulfonamide
CID 4053954
1,3-diphenylpropane-2-sulfonamide
CID 62084735
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428

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).