N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide

C18H19FN2O5S — CID 113071662

IUPACN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19FN2O5S/c1-27(23,24)21(15-5-6-16-17(11-15)26-12-25-16)8-7-20-18(22)10-13-3-2-4-14(19)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,22)
InChIKeyHRAUNXDVVUMJID-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113071662) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113071662
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19FN2O5S/c1-27(23,24)21(15-5-6-16-17(11-15)26-12-25-16)8-7-20-18(22)10-13-3-2-4-14(19)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,22)
InChIKeyHRAUNXDVVUMJID-UHFFFAOYSA-N
XLogP1.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]butanamide
CID 53282296
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 2219429

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113071662) is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HRAUNXDVVUMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-27(23,24)21(15-5-6-16-17(11-15)26-12-25-16)8-7-20-18(22)10-13-3-2-4-14(19)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 394.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113071662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).