3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide

C14H18N4O3S — CID 133286517

IUPAC3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)Nc2nccc(OC)n2)c1
InChIInChI=1S/C14H18N4O3S/c1-10(17-14-16-8-7-13(18-14)21-3)11-5-4-6-12(9-11)22(19,20)15-2/h4-10,15H,1-3H3,(H,16,17,18)
InChIKeyUBZVIFINGDPETK-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.57
Rot. Bonds6

About 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide

3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 133286517) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
PubChem CID133286517
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)Nc2nccc(OC)n2)c1
InChIInChI=1S/C14H18N4O3S/c1-10(17-14-16-8-7-13(18-14)21-3)11-5-4-6-12(9-11)22(19,20)15-2/h4-10,15H,1-3H3,(H,16,17,18)
InChIKeyUBZVIFINGDPETK-UHFFFAOYSA-N
XLogP1.57
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 26436660
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 42934023
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid
CID 22707109

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide (CID 133286517) is 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)Nc2nccc(OC)n2)c1.
What is the InChIKey of 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is UBZVIFINGDPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10(17-14-16-8-7-13(18-14)21-3)11-5-4-6-12(9-11)22(19,20)15-2/h4-10,15H,1-3H3,(H,16,17,18).
What are the key properties of 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide?
3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).