N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C18H24N4O3S2 — CID 1249019

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N4O3S2/c1-12-10-13(2)20-17(19-12)26-11-16(23)21-14-6-8-15(9-7-14)27(24,25)22-18(3,4)5/h6-10,22H,11H2,1-5H3,(H,21,23)
InChIKeyLSXRSMJPZGOGOT-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1249019) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1249019
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N4O3S2/c1-12-10-13(2)20-17(19-12)26-11-16(23)21-14-6-8-15(9-7-14)27(24,25)22-18(3,4)5/h6-10,22H,11H2,1-5H3,(H,21,23)
InChIKeyLSXRSMJPZGOGOT-UHFFFAOYSA-N
XLogP2.90
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 1249019) is N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is LSXRSMJPZGOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-12-10-13(2)20-17(19-12)26-11-16(23)21-14-6-8-15(9-7-14)27(24,25)22-18(3,4)5/h6-10,22H,11H2,1-5H3,(H,21,23).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 408.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1249019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).