N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide

C23H30FNO7S — CID 14425693

IUPACN-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide
SMILESCCCc1c(OCC(O)COc2ccc(CCNS(C)(=O)=O)cc2F)ccc(C(C)=O)c1O
InChIInChI=1S/C23H30FNO7S/c1-4-5-19-21(9-7-18(15(2)26)23(19)28)31-13-17(27)14-32-22-8-6-16(12-20(22)24)10-11-25-33(3,29)30/h6-9,12,17,25,27-28H,4-5,10-11,13-14H2,1-3H3
InChIKeyPKVRTKNKHNZITE-UHFFFAOYSA-N
MW483.56 g/mol
LogP2.60
Rot. Bonds13

About N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide

N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide (PubChem CID 14425693) has the molecular formula C23H30FNO7S and a molecular weight of 483.56 g/mol. Its IUPAC name is N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide
PubChem CID14425693
Molecular FormulaC23H30FNO7S
Molecular Weight483.56 g/mol
Exact Mass483.17
IUPAC NameN-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide
SMILESCCCc1c(OCC(O)COc2ccc(CCNS(C)(=O)=O)cc2F)ccc(C(C)=O)c1O
InChIInChI=1S/C23H30FNO7S/c1-4-5-19-21(9-7-18(15(2)26)23(19)28)31-13-17(27)14-32-22-8-6-16(12-20(22)24)10-11-25-33(3,29)30/h6-9,12,17,25,27-28H,4-5,10-11,13-14H2,1-3H3
InChIKeyPKVRTKNKHNZITE-UHFFFAOYSA-N
XLogP2.60
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-fluorophenyl]acetic acid
CID 14425686
acetic acid;1-[4-[3-(2-chlorophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 21247296
4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanyl-2-fluorophenyl]-4-oxobutanoic acid
CID 19884789
sodium;7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid;hydride
CID 173053035
1-[4-(3,3-dihydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone
CID 70485136
4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-fluorophenyl]-4-oxobutanoic acid
CID 19884711
3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]prop-2-enoic acid
CID 54239031
methyl 2-[4-[1-(4-acetyl-3-hydroxy-2-propylphenoxy)propan-2-yloxy]-3-chlorophenyl]acetate
CID 54514191
sodium 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanoanilino]-2-oxoacetate
CID 23718955
sodium (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]prop-2-enoate
CID 23720716
1-[4-[[4-(3-bromopropyl)phenyl]methoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 13368603
N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
CID 110790279

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide (CID 14425693) is N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide is CCCc1c(OCC(O)COc2ccc(CCNS(C)(=O)=O)cc2F)ccc(C(C)=O)c1O.
What is the InChIKey of N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide?
The InChIKey is PKVRTKNKHNZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO7S/c1-4-5-19-21(9-7-18(15(2)26)23(19)28)31-13-17(27)14-32-22-8-6-16(12-20(22)24)10-11-25-33(3,29)30/h6-9,12,17,25,27-28H,4-5,10-11,13-14H2,1-3H3.
What are the key properties of N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide?
N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide has a molecular weight of 483.56 g/mol, XLogP of 2.60, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-fluorophenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 14425693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).