N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide

C21H23N3O3S2 — CID 86898458

IUPACN-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C21H23N3O3S2/c1-3-14-29(26,27)20-11-7-6-10-19(20)28-16(2)21(25)23-17-8-4-5-9-18(17)24-13-12-22-15-24/h4-13,15-16H,3,14H2,1-2H3,(H,23,25)
InChIKeyWQURPZFKVHUUQE-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.18
Rot. Bonds8

About N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide

N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide (PubChem CID 86898458) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
PubChem CID86898458
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C21H23N3O3S2/c1-3-14-29(26,27)20-11-7-6-10-19(20)28-16(2)21(25)23-17-8-4-5-9-18(17)24-13-12-22-15-24/h4-13,15-16H,3,14H2,1-2H3,(H,23,25)
InChIKeyWQURPZFKVHUUQE-UHFFFAOYSA-N
XLogP4.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119627451
N-(2-imidazol-1-ylphenyl)decanamide
CID 12911522
N-[3-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119431118
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119522650
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119387404
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
CID 60849200
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide (CID 86898458) is N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide is CCCS(=O)(=O)c1ccccc1SC(C)C(=O)Nc1ccccc1-n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The InChIKey is WQURPZFKVHUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-3-14-29(26,27)20-11-7-6-10-19(20)28-16(2)21(25)23-17-8-4-5-9-18(17)24-13-12-22-15-24/h4-13,15-16H,3,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide has a molecular weight of 429.57 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide is sourced from PubChem (CID 86898458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).