N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide

C15H20N4O3S — CID 6493669

IUPACN-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-18(23(2,21)22)14-6-4-13(5-7-14)15(20)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyPKPUZGUYGXUZJI-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.10
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide

N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 6493669) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID6493669
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-18(23(2,21)22)14-6-4-13(5-7-14)15(20)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyPKPUZGUYGXUZJI-UHFFFAOYSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811383
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
CID 59864516
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
4-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 60821775
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 6493669) is N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is PKPUZGUYGXUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(23(2,21)22)14-6-4-13(5-7-14)15(20)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 336.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 6493669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).