2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide

C14H21FN2O3S — CID 60627428

IUPAC2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-3-9-16-14(18)11-17(10-4-2)21(19,20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyAIVKJBILGNGPQR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds8

About 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide

2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide (PubChem CID 60627428) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
PubChem CID60627428
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-3-9-16-14(18)11-17(10-4-2)21(19,20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyAIVKJBILGNGPQR-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
CID 60959125
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
CID 29281469

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide (CID 60627428) is 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide?
The InChIKey is AIVKJBILGNGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-9-16-14(18)11-17(10-4-2)21(19,20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide?
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 60627428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).