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

C20H26N2O4S2 — CID 28552015

IUPACN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-14(2)22-28(24,25)19-11-7-17(8-12-19)26-13-20(23)21-15(3)16-5-9-18(27-4)10-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyCFLKEHBBUAWEFQ-HNNXBMFYSA-N
MW422.57 g/mol
LogP3.35
Rot. Bonds9

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

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 28552015) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID28552015
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-14(2)22-28(24,25)19-11-7-17(8-12-19)26-13-20(23)21-15(3)16-5-9-18(27-4)10-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyCFLKEHBBUAWEFQ-HNNXBMFYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553139
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554
N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 43873186
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46440684
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 28552015) is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is CFLKEHBBUAWEFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-14(2)22-28(24,25)19-11-7-17(8-12-19)26-13-20(23)21-15(3)16-5-9-18(27-4)10-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.35, 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-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28552015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).