N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide

C15H18N4O4S2 — CID 3509184

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)11-5-6-13(23-3)12(9-11)18-14(20)10-24-15-16-7-4-8-17-15/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyJHMQQWGGVVXQPF-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.47
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 3509184) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID3509184
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)11-5-6-13(23-3)12(9-11)18-14(20)10-24-15-16-7-4-8-17-15/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyJHMQQWGGVVXQPF-UHFFFAOYSA-N
XLogP1.47
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 3509184) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is JHMQQWGGVVXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)11-5-6-13(23-3)12(9-11)18-14(20)10-24-15-16-7-4-8-17-15/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 382.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 3509184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).