N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide

C18H22N2O3S — CID 71912542

IUPACN-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(C)C(CC)c2ccncc2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-9-11-19-12-10-14)20(3)24(22,23)16-8-6-7-15(13-16)18(21)5-2/h6-13,17H,4-5H2,1-3H3
InChIKeyVQMSQLVKCLWNCV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.45
Rot. Bonds7

About N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide

N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide (PubChem CID 71912542) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide
PubChem CID71912542
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(C)C(CC)c2ccncc2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-9-11-19-12-10-14)20(3)24(22,23)16-8-6-7-15(13-16)18(21)5-2/h6-13,17H,4-5H2,1-3H3
InChIKeyVQMSQLVKCLWNCV-UHFFFAOYSA-N
XLogP3.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide
CID 99943607
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-propanoylbenzenesulfonamide
CID 79376544
3-propanoylbenzenesulfonic acid
CID 148597255
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide
CID 114277159
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
3-[methyl(pentan-3-yl)sulfamoyl]benzenecarbothioamide
CID 43571371

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide (CID 71912542) is N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)N(C)C(CC)c2ccncc2)c1.
What is the InChIKey of N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide?
The InChIKey is VQMSQLVKCLWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-17(14-9-11-19-12-10-14)20(3)24(22,23)16-8-6-7-15(13-16)18(21)5-2/h6-13,17H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide?
N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 71912542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).