2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide

C15H18ClN3O3S — CID 17225113

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O3S/c16-14-4-2-13(3-5-14)10-23(21,22)11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,10-11H2,(H,18,20)
InChIKeyJWJHUOPGPXXNQY-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.66
Rot. Bonds8

About 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 17225113) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID17225113
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O3S/c16-14-4-2-13(3-5-14)10-23(21,22)11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,10-11H2,(H,18,20)
InChIKeyJWJHUOPGPXXNQY-UHFFFAOYSA-N
XLogP1.66
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.66
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

2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(3-imidazol-1-ylpropyl)thiourea
CID 73351094
2-[(4-bromophenyl)methylsulfanyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 125145146
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide (CID 17225113) is 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCCCn1ccnc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is JWJHUOPGPXXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c16-14-4-2-13(3-5-14)10-23(21,22)11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,10-11H2,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 355.85 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 17225113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).