N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C20H28N4OS — CID 46538077

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(CNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C20H28N4OS/c1-5-24(6-2)18(17-10-8-7-9-11-17)13-21-19(25)14-26-20-22-15(3)12-16(4)23-20/h7-12,18H,5-6,13-14H2,1-4H3,(H,21,25)
InChIKeyIXQQGGZNHXHKSC-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.38
Rot. Bonds9

About N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 46538077) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID46538077
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(CNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C20H28N4OS/c1-5-24(6-2)18(17-10-8-7-9-11-17)13-21-19(25)14-26-20-22-15(3)12-16(4)23-20/h7-12,18H,5-6,13-14H2,1-4H3,(H,21,25)
InChIKeyIXQQGGZNHXHKSC-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
N-benzyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propanamide
CID 4117175
N-(2-Amino-4,6-dimethyl-pyrimidin-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10183697
1-(4-Methyl-6-phenyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid allylamide
CID 646087
N-(2-Morpholin-4-yl-ethyl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 648112
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
N-[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidin-4-ylmethyl]-3-phenyl-propionamide
CID 655557
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 46538077) is N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is CCN(CC)C(CNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is IXQQGGZNHXHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-5-24(6-2)18(17-10-8-7-9-11-17)13-21-19(25)14-26-20-22-15(3)12-16(4)23-20/h7-12,18H,5-6,13-14H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 372.54 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46538077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).