2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide

C24H25FN2O3S2 — CID 28543966

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S2/c1-18(20-8-12-22(31-2)13-9-20)26-24(28)17-27(16-19-6-4-3-5-7-19)32(29,30)23-14-10-21(25)11-15-23/h3-15,18H,16-17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyDDOWPEMKGADXNS-SFHVURJKSA-N
MW472.61 g/mol
LogP4.62
Rot. Bonds9

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 28543966) has the molecular formula C24H25FN2O3S2 and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID28543966
Molecular FormulaC24H25FN2O3S2
Molecular Weight472.61 g/mol
Exact Mass472.13
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S2/c1-18(20-8-12-22(31-2)13-9-20)26-24(28)17-27(16-19-6-4-3-5-7-19)32(29,30)23-14-10-21(25)11-15-23/h3-15,18H,16-17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyDDOWPEMKGADXNS-SFHVURJKSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544794
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
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
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28545135
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543780

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 28543966) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is DDOWPEMKGADXNS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN2O3S2/c1-18(20-8-12-22(31-2)13-9-20)26-24(28)17-27(16-19-6-4-3-5-7-19)32(29,30)23-14-10-21(25)11-15-23/h3-15,18H,16-17H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 28543966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).