N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide

C18H23N3O2S — CID 124973943

IUPACN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-12(2)16-7-14(11-24-16)18(22)21-10-13-8-19-17(20-9-13)15-5-3-4-6-23-15/h7-9,11-12,15H,3-6,10H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyKNKAVZHXZUKLNY-OAHLLOKOSA-N
MW345.47 g/mol
LogP3.83
Rot. Bonds5

About N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide

N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 124973943) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID124973943
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-12(2)16-7-14(11-24-16)18(22)21-10-13-8-19-17(20-9-13)15-5-3-4-6-23-15/h7-9,11-12,15H,3-6,10H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyKNKAVZHXZUKLNY-OAHLLOKOSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124998741
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117887
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 110117756

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide (CID 124973943) is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cs1.
What is the InChIKey of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is KNKAVZHXZUKLNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)16-7-14(11-24-16)18(22)21-10-13-8-19-17(20-9-13)15-5-3-4-6-23-15/h7-9,11-12,15H,3-6,10H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 124973943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).