3-[(3-propanoylphenyl)sulfonylamino]propanamide

C12H16N2O4S — CID 60873632

IUPAC3-[(3-propanoylphenyl)sulfonylamino]propanamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCC(N)=O)c1
InChIInChI=1S/C12H16N2O4S/c1-2-11(15)9-4-3-5-10(8-9)19(17,18)14-7-6-12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16)
InChIKeyQFRNYYONMXLSBH-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.43
Rot. Bonds7

About 3-[(3-propanoylphenyl)sulfonylamino]propanamide

3-[(3-propanoylphenyl)sulfonylamino]propanamide (PubChem CID 60873632) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[(3-propanoylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(3-propanoylphenyl)sulfonylamino]propanamide
PubChem CID60873632
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-[(3-propanoylphenyl)sulfonylamino]propanamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCC(N)=O)c1
InChIInChI=1S/C12H16N2O4S/c1-2-11(15)9-4-3-5-10(8-9)19(17,18)14-7-6-12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16)
InChIKeyQFRNYYONMXLSBH-UHFFFAOYSA-N
XLogP0.43
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
CID 102675948
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-propanoyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 103823487
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propanoylbenzenesulfonamide
CID 103834766
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(2-methylsulfanylpropyl)-3-propanoylbenzenesulfonamide
CID 115756365
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propanoylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(3-propanoylphenyl)sulfonylamino]propanamide (CID 60873632) is 3-[(3-propanoylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(3-propanoylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(3-propanoylphenyl)sulfonylamino]propanamide is CCC(=O)c1cccc(S(=O)(=O)NCCC(N)=O)c1.
What is the InChIKey of 3-[(3-propanoylphenyl)sulfonylamino]propanamide?
The InChIKey is QFRNYYONMXLSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-11(15)9-4-3-5-10(8-9)19(17,18)14-7-6-12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16).
What are the key properties of 3-[(3-propanoylphenyl)sulfonylamino]propanamide?
3-[(3-propanoylphenyl)sulfonylamino]propanamide has a molecular weight of 284.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propanoylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 60873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).