N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide

C17H21N3O2S — CID 124951491

IUPACN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESC[C@@]1(c2ncc(CNC(=O)Cc3ccsc3)cn2)CCCCO1
InChIInChI=1S/C17H21N3O2S/c1-17(5-2-3-6-22-17)16-19-10-14(11-20-16)9-18-15(21)8-13-4-7-23-12-13/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyDICQUFILVJOOQY-KRWDZBQOSA-N
MW331.44 g/mol
LogP2.81
Rot. Bonds5

About N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide

N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 124951491) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID124951491
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESC[C@@]1(c2ncc(CNC(=O)Cc3ccsc3)cn2)CCCCO1
InChIInChI=1S/C17H21N3O2S/c1-17(5-2-3-6-22-17)16-19-10-14(11-20-16)9-18-15(21)8-13-4-7-23-12-13/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyDICQUFILVJOOQY-KRWDZBQOSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117887
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
CID 110117891
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
2-ethoxy-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117869
3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124952350
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
CID 124988461
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide (CID 124951491) is N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide is C[C@@]1(c2ncc(CNC(=O)Cc3ccsc3)cn2)CCCCO1.
What is the InChIKey of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is DICQUFILVJOOQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(5-2-3-6-22-17)16-19-10-14(11-20-16)9-18-15(21)8-13-4-7-23-12-13/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,21)/t17-/m0/s1.
What are the key properties of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 124951491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).