N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

C18H20FNO4S — CID 110298461

IUPACN-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)12-11-18(21)20-15-5-3-14(19)4-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyUTNBTOGNVRBOIV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.42
Rot. Bonds7

About N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (PubChem CID 110298461) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
PubChem CID110298461
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)12-11-18(21)20-15-5-3-14(19)4-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyUTNBTOGNVRBOIV-UHFFFAOYSA-N
XLogP3.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298456
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (CID 110298461) is N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is CC(C)Oc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The InChIKey is UTNBTOGNVRBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)12-11-18(21)20-15-5-3-14(19)4-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110298461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).