N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide

C12H17ClN2O3S — CID 110285291

IUPACN-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-2-7-19(17,18)15-9-12(16)14-8-10-3-5-11(13)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyPFEPEJRUTNUFMG-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.29
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide (PubChem CID 110285291) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
PubChem CID110285291
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-2-7-19(17,18)15-9-12(16)14-8-10-3-5-11(13)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyPFEPEJRUTNUFMG-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110625391
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-[(4-chlorophenyl)methyl]-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 56782791
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
N-(2,6-dichlorophenyl)-2-(propylsulfonylamino)acetamide
CID 113001455

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide (CID 110285291) is N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide?
The InChIKey is PFEPEJRUTNUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-2-7-19(17,18)15-9-12(16)14-8-10-3-5-11(13)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,14,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide has a molecular weight of 304.80 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide is sourced from PubChem (CID 110285291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).