N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide

C17H24N4O3S — CID 55721630

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-25(23,24)20(2)11-4-9-19-17(22)16-7-5-15(6-8-16)13-21-12-10-18-14-21/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22)
InChIKeyZMRVOZVVCOYJDC-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.33
Rot. Bonds9

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 55721630) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID55721630
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-25(23,24)20(2)11-4-9-19-17(22)16-7-5-15(6-8-16)13-21-12-10-18-14-21/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22)
InChIKeyZMRVOZVVCOYJDC-UHFFFAOYSA-N
XLogP1.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.33
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-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
CID 59864516

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide (CID 55721630) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide is CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is ZMRVOZVVCOYJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-25(23,24)20(2)11-4-9-19-17(22)16-7-5-15(6-8-16)13-21-12-10-18-14-21/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55721630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).