N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C19H26N4OS — CID 51123073

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC(Cc2ccccc2)CN(C)C)n1
InChIInChI=1S/C19H26N4OS/c1-14-10-15(2)21-19(20-14)25-13-18(24)22-17(12-23(3)4)11-16-8-6-5-7-9-16/h5-10,17H,11-13H2,1-4H3,(H,22,24)
InChIKeyBRPQPUSBEVFSBD-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.47
Rot. Bonds8

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 51123073) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID51123073
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC(Cc2ccccc2)CN(C)C)n1
InChIInChI=1S/C19H26N4OS/c1-14-10-15(2)21-19(20-14)25-13-18(24)22-17(12-23(3)4)11-16-8-6-5-7-9-16/h5-10,17H,11-13H2,1-4H3,(H,22,24)
InChIKeyBRPQPUSBEVFSBD-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 51123073) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NC(Cc2ccccc2)CN(C)C)n1.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BRPQPUSBEVFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-10-15(2)21-19(20-14)25-13-18(24)22-17(12-23(3)4)11-16-8-6-5-7-9-16/h5-10,17H,11-13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 358.51 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 51123073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).