2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O4S2 — CID 35040882

IUPAC2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1cccc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S2/c1-23-14-3-2-4-15(11-14)24-12-17(20)19-10-9-13-5-7-16(8-6-13)25(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyHWWBNGTUXWBWHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.79
Rot. Bonds8

About 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 35040882) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID35040882
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1cccc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S2/c1-23-14-3-2-4-15(11-14)24-12-17(20)19-10-9-13-5-7-16(8-6-13)25(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyHWWBNGTUXWBWHI-UHFFFAOYSA-N
XLogP1.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16898946
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 91790037
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 35040882) is 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is COc1cccc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HWWBNGTUXWBWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-14-3-2-4-15(11-14)24-12-17(20)19-10-9-13-5-7-16(8-6-13)25(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 35040882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).