3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide

C19H22FNO3S — CID 110425753

IUPAC3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO3S/c1-19(2,3)14-7-9-17(10-8-14)25(23,24)12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyRVMIOEIFAOFLDC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.93
Rot. Bonds5

About 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide

3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide (PubChem CID 110425753) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
PubChem CID110425753
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO3S/c1-19(2,3)14-7-9-17(10-8-14)25(23,24)12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyRVMIOEIFAOFLDC-UHFFFAOYSA-N
XLogP3.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
[2-(3-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168529
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20902898
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide (CID 110425753) is 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide is CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide?
The InChIKey is RVMIOEIFAOFLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-19(2,3)14-7-9-17(10-8-14)25(23,24)12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide?
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide has a molecular weight of 363.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110425753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).