N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide

C19H26N6O3S — CID 122327735

IUPACN-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1
InChIInChI=1S/C19H26N6O3S/c1-14-11-16(24-15(2)26)5-6-17(14)29(27,28)23-8-7-20-18-12-19(22-13-21-18)25-9-3-4-10-25/h5-6,11-13,23H,3-4,7-10H2,1-2H3,(H,24,26)(H,20,21,22)
InChIKeyGEJYQZYJCJUNJV-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.73
Rot. Bonds8

About N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide

N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide (PubChem CID 122327735) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
PubChem CID122327735
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC NameN-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1
InChIInChI=1S/C19H26N6O3S/c1-14-11-16(24-15(2)26)5-6-17(14)29(27,28)23-8-7-20-18-12-19(22-13-21-18)25-9-3-4-10-25/h5-6,11-13,23H,3-4,7-10H2,1-2H3,(H,24,26)(H,20,21,22)
InChIKeyGEJYQZYJCJUNJV-UHFFFAOYSA-N
XLogP1.73
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122294541
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
N-[4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122293238
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-1-sulfonamide
CID 122327764
N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55598687
4-cyano-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327763
1-ethyl-3,5-dimethyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 122327740
N-[3-methyl-4-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]phenyl]acetamide
CID 122323971
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
4-methyl-3,5-dinitro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327789
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide (CID 122327735) is N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is GEJYQZYJCJUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-14-11-16(24-15(2)26)5-6-17(14)29(27,28)23-8-7-20-18-12-19(22-13-21-18)25-9-3-4-10-25/h5-6,11-13,23H,3-4,7-10H2,1-2H3,(H,24,26)(H,20,21,22).
What are the key properties of N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide?
N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 122327735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).