2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C16H21N3OS2 — CID 40819742

IUPAC2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1cc(SCC(=O)N[C@H](C)c2cccs2)nc(C(C)C)n1
InChIInChI=1S/C16H21N3OS2/c1-10(2)16-17-11(3)8-15(19-16)22-9-14(20)18-12(4)13-6-5-7-21-13/h5-8,10,12H,9H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyMFLOLPDRLIIYQU-GFCCVEGCSA-N
MW335.50 g/mol
LogP3.94
Rot. Bonds6

About 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 40819742) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID40819742
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1cc(SCC(=O)N[C@H](C)c2cccs2)nc(C(C)C)n1
InChIInChI=1S/C16H21N3OS2/c1-10(2)16-17-11(3)8-15(19-16)22-9-14(20)18-12(4)13-6-5-7-21-13/h5-8,10,12H,9H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyMFLOLPDRLIIYQU-GFCCVEGCSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16539608
2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 17415532
N-[(1S)-1-thiophen-2-ylethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40701155
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7257168

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 40819742) is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is Cc1cc(SCC(=O)N[C@H](C)c2cccs2)nc(C(C)C)n1.
What is the InChIKey of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is MFLOLPDRLIIYQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-10(2)16-17-11(3)8-15(19-16)22-9-14(20)18-12(4)13-6-5-7-21-13/h5-8,10,12H,9H2,1-4H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 335.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 40819742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).