N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C17H23N3O3S3 — CID 1140658

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3S3/c21-16(12-25-17-18-10-11-24-17)19-13-6-8-15(9-7-13)26(22,23)20-14-4-2-1-3-5-14/h6-9,14,20H,1-5,10-12H2,(H,19,21)
InChIKeyHUQICFFPOZJAEC-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 1140658) has the molecular formula C17H23N3O3S3 and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID1140658
Molecular FormulaC17H23N3O3S3
Molecular Weight413.59 g/mol
Exact Mass413.09
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3S3/c21-16(12-25-17-18-10-11-24-17)19-13-6-8-15(9-7-13)26(22,23)20-14-4-2-1-3-5-14/h6-9,14,20H,1-5,10-12H2,(H,19,21)
InChIKeyHUQICFFPOZJAEC-UHFFFAOYSA-N
XLogP3.07
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 1140658) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is HUQICFFPOZJAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S3/c21-16(12-25-17-18-10-11-24-17)19-13-6-8-15(9-7-13)26(22,23)20-14-4-2-1-3-5-14/h6-9,14,20H,1-5,10-12H2,(H,19,21).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 413.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 1140658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).