2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H19N3O3S2 — CID 55753204

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3S2/c19-11-15-1-3-16(4-2-15)12-25-13-18(22)21-10-9-14-5-7-17(8-6-14)26(20,23)24/h1-8H,9-10,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyHSOFELQEGRIWQJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.80
Rot. Bonds8

About 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55753204) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55753204
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3S2/c19-11-15-1-3-16(4-2-15)12-25-13-18(22)21-10-9-14-5-7-17(8-6-14)26(20,23)24/h1-8H,9-10,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyHSOFELQEGRIWQJ-UHFFFAOYSA-N
XLogP1.80
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9210377
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8623417
2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 55919381
N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108949699
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55741154
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
2-(2-cyanophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2714604
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445375

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 55753204) is 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is N#Cc1ccc(CSCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HSOFELQEGRIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c19-11-15-1-3-16(4-2-15)12-25-13-18(22)21-10-9-14-5-7-17(8-6-14)26(20,23)24/h1-8H,9-10,12-13H2,(H,21,22)(H2,20,23,24).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55753204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).