N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C25H27FN2O3S — CID 30401273

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-18-7-13-24(14-8-18)32(30,31)28(16-21-6-4-5-19(2)15-21)17-25(29)27-20(3)22-9-11-23(26)12-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyVYLUVNBPPLBYAB-HXUWFJFHSA-N
MW454.57 g/mol
LogP4.51
Rot. Bonds8

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 30401273) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID30401273
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-18-7-13-24(14-8-18)32(30,31)28(16-21-6-4-5-19(2)15-21)17-25(29)27-20(3)22-9-11-23(26)12-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyVYLUVNBPPLBYAB-HXUWFJFHSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401279
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 126068242
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 126073003
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401241
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544490
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544492
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
CID 94861224

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 30401273) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2cccc(C)c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VYLUVNBPPLBYAB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-18-7-13-24(14-8-18)32(30,31)28(16-21-6-4-5-19(2)15-21)17-25(29)27-20(3)22-9-11-23(26)12-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 30401273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).