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

C18H21FN2O3S2 — CID 125053043

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S2/c1-13(14-4-6-15(19)7-5-14)20-18(22)12-21(2)26(23,24)17-10-8-16(25-3)9-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyLCODYWIPPMOXPD-CYBMUJFWSA-N
MW396.51 g/mol
LogP3.05
Rot. Bonds7

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide (PubChem CID 125053043) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
PubChem CID125053043
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S2/c1-13(14-4-6-15(19)7-5-14)20-18(22)12-21(2)26(23,24)17-10-8-16(25-3)9-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyLCODYWIPPMOXPD-CYBMUJFWSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100503817
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55963206
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078046
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544794
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125059439
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125059441

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide (CID 125053043) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide is CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The InChIKey is LCODYWIPPMOXPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-13(14-4-6-15(19)7-5-14)20-18(22)12-21(2)26(23,24)17-10-8-16(25-3)9-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide has a molecular weight of 396.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 125053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).