N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide

C23H24N2O4S2 — CID 28553139

IUPACN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17(18-8-12-21(30-2)13-9-18)24-23(26)16-29-20-10-14-22(15-11-20)31(27,28)25-19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyWCZNNNLYGQBDPF-KRWDZBQOSA-N
MW456.59 g/mol
LogP4.47
Rot. Bonds9

About N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide (PubChem CID 28553139) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
PubChem CID28553139
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17(18-8-12-21(30-2)13-9-18)24-23(26)16-29-20-10-14-22(15-11-20)31(27,28)25-19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyWCZNNNLYGQBDPF-KRWDZBQOSA-N
XLogP4.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28552015
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555536
N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 43873186
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553112
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553030
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide (CID 28553139) is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide is CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide?
The InChIKey is WCZNNNLYGQBDPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17(18-8-12-21(30-2)13-9-18)24-23(26)16-29-20-10-14-22(15-11-20)31(27,28)25-19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide?
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28553139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).