2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

C18H22N2O4S2 — CID 41095805

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-24-15-6-8-16(9-7-15)25-12-18(21)20-13(2)14-4-10-17(11-5-14)26(19,22)23/h4-11,13H,3,12H2,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m1/s1
InChIKeyUETJQWSSNYMITA-CYBMUJFWSA-N
MW394.52 g/mol
LogP2.70
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 41095805) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID41095805
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-24-15-6-8-16(9-7-15)25-12-18(21)20-13(2)14-4-10-17(11-5-14)26(19,22)23/h4-11,13H,3,12H2,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m1/s1
InChIKeyUETJQWSSNYMITA-CYBMUJFWSA-N
XLogP2.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
CID 16564974
1-[1-(4-ethoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 2954250
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 41095805) is 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is CCOc1ccc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UETJQWSSNYMITA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-24-15-6-8-16(9-7-15)25-12-18(21)20-13(2)14-4-10-17(11-5-14)26(19,22)23/h4-11,13H,3,12H2,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m1/s1.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 41095805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).