N-methoxy-3-propanoyl-N-propylbenzenesulfonamide

C13H19NO4S — CID 114277159

IUPACN-methoxy-3-propanoyl-N-propylbenzenesulfonamide
SMILESCCCN(OC)S(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C13H19NO4S/c1-4-9-14(18-3)19(16,17)12-8-6-7-11(10-12)13(15)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyFOBLYQJYLWXBEO-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.24
Rot. Bonds7

About N-methoxy-3-propanoyl-N-propylbenzenesulfonamide

N-methoxy-3-propanoyl-N-propylbenzenesulfonamide (PubChem CID 114277159) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methoxy-3-propanoyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-3-propanoyl-N-propylbenzenesulfonamide
PubChem CID114277159
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-methoxy-3-propanoyl-N-propylbenzenesulfonamide
SMILESCCCN(OC)S(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C13H19NO4S/c1-4-9-14(18-3)19(16,17)12-8-6-7-11(10-12)13(15)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyFOBLYQJYLWXBEO-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-propanoylbenzenesulfonamide
CID 79376544
3-propanoylbenzenesulfonic acid
CID 148597255
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-propanoyl-N-propylbenzenesulfonamide?
The IUPAC name of N-methoxy-3-propanoyl-N-propylbenzenesulfonamide (CID 114277159) is N-methoxy-3-propanoyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-3-propanoyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-methoxy-3-propanoyl-N-propylbenzenesulfonamide is CCCN(OC)S(=O)(=O)c1cccc(C(=O)CC)c1.
What is the InChIKey of N-methoxy-3-propanoyl-N-propylbenzenesulfonamide?
The InChIKey is FOBLYQJYLWXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-4-9-14(18-3)19(16,17)12-8-6-7-11(10-12)13(15)5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of N-methoxy-3-propanoyl-N-propylbenzenesulfonamide?
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-propanoyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 114277159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).