N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide

C18H19N3OS — CID 157018895

IUPACN,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc(C)nc3ccsc23)c1
InChIInChI=1S/C18H19N3OS/c1-4-21(5-2)18(22)14-8-6-7-13(11-14)16-17-15(9-10-23-17)19-12(3)20-16/h6-11H,4-5H2,1-3H3
InChIKeyGCGLVFPNYOFEJV-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.15
Rot. Bonds4

About N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide

N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide (PubChem CID 157018895) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide
PubChem CID157018895
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc(C)nc3ccsc23)c1
InChIInChI=1S/C18H19N3OS/c1-4-21(5-2)18(22)14-8-6-7-13(11-14)16-17-15(9-10-23-17)19-12(3)20-16/h6-11H,4-5H2,1-3H3
InChIKeyGCGLVFPNYOFEJV-UHFFFAOYSA-N
XLogP4.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110372127
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
CID 157018493
3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
CID 72935280
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propylamino]acetic acid
CID 86779617
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
3-methylsulfonyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propylbenzamide
CID 135938047
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 72914641
3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
CID 69014106
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243
CID 174412487
CID 174412487
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide?
The IUPAC name of N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide (CID 157018895) is N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide is CCN(CC)C(=O)c1cccc(-c2nc(C)nc3ccsc23)c1.
What is the InChIKey of N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide?
The InChIKey is GCGLVFPNYOFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-4-21(5-2)18(22)14-8-6-7-13(11-14)16-17-15(9-10-23-17)19-12(3)20-16/h6-11H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide?
N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 157018895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).