N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C26H30N2O3S2 — CID 28556860

IUPACN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-19(23-12-14-24(32-3)15-13-23)27-26(29)18-11-21-9-16-25(17-10-21)33(30,31)28-20(2)22-7-5-4-6-8-22/h4-10,12-17,19-20,28H,11,18H2,1-3H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyWLMUJRQFOPUWLM-WOJBJXKFSA-N
MW482.67 g/mol
LogP5.26
Rot. Bonds10

About N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 28556860) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID28556860
Molecular FormulaC26H30N2O3S2
Molecular Weight482.67 g/mol
Exact Mass482.17
IUPAC NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-19(23-12-14-24(32-3)15-13-23)27-26(29)18-11-21-9-16-25(17-10-21)33(30,31)28-20(2)22-7-5-4-6-8-22/h4-10,12-17,19-20,28H,11,18H2,1-3H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyWLMUJRQFOPUWLM-WOJBJXKFSA-N
XLogP5.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 28557494
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 28556860) is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is WLMUJRQFOPUWLM-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-19(23-12-14-24(32-3)15-13-23)27-26(29)18-11-21-9-16-25(17-10-21)33(30,31)28-20(2)22-7-5-4-6-8-22/h4-10,12-17,19-20,28H,11,18H2,1-3H3,(H,27,29)/t19-,20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 482.67 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 28556860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).