(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide

C15H20N4O3S — CID 124507638

IUPAC(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O3S/c1-13(18-23(21,22)14-6-3-2-4-7-14)15(20)17-8-5-10-19-11-9-16-12-19/h2-4,6-7,9,11-13,18H,5,8,10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyOXUNFOVGOCFZLW-ZDUSSCGKSA-N
MW336.42 g/mol
LogP0.76
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 124507638) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID124507638
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O3S/c1-13(18-23(21,22)14-6-3-2-4-7-14)15(20)17-8-5-10-19-11-9-16-12-19/h2-4,6-7,9,11-13,18H,5,8,10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyOXUNFOVGOCFZLW-ZDUSSCGKSA-N
XLogP0.76
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 30143287
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
3-imidazol-1-ylpropylurea
CID 22179621
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]urea
CID 95294802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide (CID 124507638) is (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is OXUNFOVGOCFZLW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-13(18-23(21,22)14-6-3-2-4-7-14)15(20)17-8-5-10-19-11-9-16-12-19/h2-4,6-7,9,11-13,18H,5,8,10H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 124507638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).