N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide

C17H20N4O2S — CID 131922657

IUPACN-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)CSc1nccc(C)n1
InChIInChI=1S/C17H20N4O2S/c1-12-9-10-19-17(20-12)24-11-16(23)21-14-6-4-3-5-13(14)7-8-15(22)18-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,22)(H,21,23)
InChIKeyWUCGBXZFCGQDQI-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.19
Rot. Bonds7

About N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide

N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide (PubChem CID 131922657) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
PubChem CID131922657
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)CSc1nccc(C)n1
InChIInChI=1S/C17H20N4O2S/c1-12-9-10-19-17(20-12)24-11-16(23)21-14-6-4-3-5-13(14)7-8-15(22)18-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,22)(H,21,23)
InChIKeyWUCGBXZFCGQDQI-UHFFFAOYSA-N
XLogP2.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide?
The IUPAC name of N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide (CID 131922657) is N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide?
The canonical SMILES for N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide is CNC(=O)CCc1ccccc1NC(=O)CSc1nccc(C)n1.
What is the InChIKey of N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide?
The InChIKey is WUCGBXZFCGQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-9-10-19-17(20-12)24-11-16(23)21-14-6-4-3-5-13(14)7-8-15(22)18-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,22)(H,21,23).
What are the key properties of N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide?
N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide is sourced from PubChem (CID 131922657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).