N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

C23H23N3O2S2 — CID 167977571

IUPACN-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCCN(Cc1cccc(C)c1)C(=O)Cc1nc2scc(-c3ccc(C)s3)c2c(=O)[nH]1
InChIInChI=1S/C23H23N3O2S2/c1-4-26(12-16-7-5-6-14(2)10-16)20(27)11-19-24-22(28)21-17(13-29-23(21)25-19)18-9-8-15(3)30-18/h5-10,13H,4,11-12H2,1-3H3,(H,24,25,28)
InChIKeyYCKNWLWWJBSMQT-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.92
Rot. Bonds6

About N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 167977571) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID167977571
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC NameN-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCCN(Cc1cccc(C)c1)C(=O)Cc1nc2scc(-c3ccc(C)s3)c2c(=O)[nH]1
InChIInChI=1S/C23H23N3O2S2/c1-4-26(12-16-7-5-6-14(2)10-16)20(27)11-19-24-22(28)21-17(13-29-23(21)25-19)18-9-8-15(3)30-18/h5-10,13H,4,11-12H2,1-3H3,(H,24,25,28)
InChIKeyYCKNWLWWJBSMQT-UHFFFAOYSA-N
XLogP4.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N-ethyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
CID 167757169
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
CID 167873148
2-(chloromethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4962319
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
CID 167949563
5-(5-methylthiophen-2-yl)-2-(phenoxymethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 60528151
2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784528
2-(azocan-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784587
N-benzyl-N-methyl-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 24658759
2-[(N-methylanilino)methyl]-5-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839419
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
6-(dihydroxymethyl)-5-methyl-2-[(3-methylphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 139309338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (CID 167977571) is N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is CCN(Cc1cccc(C)c1)C(=O)Cc1nc2scc(-c3ccc(C)s3)c2c(=O)[nH]1.
What is the InChIKey of N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is YCKNWLWWJBSMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c1-4-26(12-16-7-5-6-14(2)10-16)20(27)11-19-24-22(28)21-17(13-29-23(21)25-19)18-9-8-15(3)30-18/h5-10,13H,4,11-12H2,1-3H3,(H,24,25,28).
What are the key properties of N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 437.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 167977571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).