N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C29H33FN2O5S — CID 100624807

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C29H33FN2O5S/c1-36-28-15-14-27(38(34,35)32-17-3-2-4-18-32)19-24(28)9-16-29(33)31-20-22-7-12-26(13-8-22)37-21-23-5-10-25(30)11-6-23/h5-8,10-15,19H,2-4,9,16-18,20-21H2,1H3,(H,31,33)
InChIKeyYYWXJHDIOGYGCS-UHFFFAOYSA-N
MW540.66 g/mol
LogP4.84
Rot. Bonds11

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100624807) has the molecular formula C29H33FN2O5S and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID100624807
Molecular FormulaC29H33FN2O5S
Molecular Weight540.66 g/mol
Exact Mass540.21
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C29H33FN2O5S/c1-36-28-15-14-27(38(34,35)32-17-3-2-4-18-32)19-24(28)9-16-29(33)31-20-22-7-12-26(13-8-22)37-21-23-5-10-25(30)11-6-23/h5-8,10-15,19H,2-4,9,16-18,20-21H2,1H3,(H,31,33)
InChIKeyYYWXJHDIOGYGCS-UHFFFAOYSA-N
XLogP4.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100564145
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 100624807) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YYWXJHDIOGYGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O5S/c1-36-28-15-14-27(38(34,35)32-17-3-2-4-18-32)19-24(28)9-16-29(33)31-20-22-7-12-26(13-8-22)37-21-23-5-10-25(30)11-6-23/h5-8,10-15,19H,2-4,9,16-18,20-21H2,1H3,(H,31,33).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 540.66 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100624807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).