N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C28H30FN3O6S — CID 43901047

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H30FN3O6S/c1-39(35,36)32(25-10-6-23(7-11-25)28(34)31-14-16-37-17-15-31)19-27(33)30-18-21-4-12-26(13-5-21)38-20-22-2-8-24(29)9-3-22/h2-13H,14-20H2,1H3,(H,30,33)
InChIKeyXPODOTBYMGSTNQ-UHFFFAOYSA-N
MW555.63 g/mol
LogP2.96
Rot. Bonds10

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 43901047) has the molecular formula C28H30FN3O6S and a molecular weight of 555.63 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID43901047
Molecular FormulaC28H30FN3O6S
Molecular Weight555.63 g/mol
Exact Mass555.18
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H30FN3O6S/c1-39(35,36)32(25-10-6-23(7-11-25)28(34)31-14-16-37-17-15-31)19-27(33)30-18-21-4-12-26(13-5-21)38-20-22-2-8-24(29)9-3-22/h2-13H,14-20H2,1H3,(H,30,33)
InChIKeyXPODOTBYMGSTNQ-UHFFFAOYSA-N
XLogP2.96
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.63
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896165
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900424
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30277058
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
N-[1-(4-ethoxyphenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900404
N-[1-(4-methylphenoxy)propan-2-yl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901364
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 3955567
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 43901047) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is XPODOTBYMGSTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O6S/c1-39(35,36)32(25-10-6-23(7-11-25)28(34)31-14-16-37-17-15-31)19-27(33)30-18-21-4-12-26(13-5-21)38-20-22-2-8-24(29)9-3-22/h2-13H,14-20H2,1H3,(H,30,33).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 555.63 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 43901047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).