2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide

C15H19N3OS — CID 2954742

IUPAC2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyOJZRHNKMJKSJPS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds7

About 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide

2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2954742) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2954742
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyOJZRHNKMJKSJPS-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazol-1-ylphenylmethanone
CID 66319
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
Azole, 10
CID 53348139
2,6-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970447
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4786895
2-Fluoro-N-(3-imidazol-1-yl-propyl)-benzamide
CID 17065330
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 24685445
N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-3-carboxamide
CID 2970959
N-[3-(1H-imidazol-1-yl)propyl]-4-iodobenzamide
CID 4877443
N-(5-Imidazol-1-yl-pentyl)-4-trifluoromethyl-benzamide
CID 13588953

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide (CID 2954742) is 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide is CCSc1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is OJZRHNKMJKSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19).
What are the key properties of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2954742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).