N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide

C14H16N4O3S2 — CID 2099003

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1
InChIInChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)12-6-4-11(5-7-12)17-13(19)10-22-14-15-8-3-9-16-14/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyJUEYEPBOEWKPHQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.46
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2099003) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2099003
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1
InChIInChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)12-6-4-11(5-7-12)17-13(19)10-22-14-15-8-3-9-16-14/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyJUEYEPBOEWKPHQ-UHFFFAOYSA-N
XLogP1.46
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2088011
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2175554
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 22829914
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 2099003) is N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is JUEYEPBOEWKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)12-6-4-11(5-7-12)17-13(19)10-22-14-15-8-3-9-16-14/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 352.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2099003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).