N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide

C28H29N3O2S — CID 23410198

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O
InChIInChI=1S/C28H29N3O2S/c1-17(2)22-10-6-7-18(3)26(22)30-24(32)14-31-16-29-27-25(28(31)33)23(15-34-27)21-12-11-19-8-4-5-9-20(19)13-21/h6-7,10-13,15-17H,4-5,8-9,14H2,1-3H3,(H,30,32)
InChIKeyQDDAUHXLSFXINE-UHFFFAOYSA-N
MW471.63 g/mol
LogP6.07
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 23410198) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID23410198
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O
InChIInChI=1S/C28H29N3O2S/c1-17(2)22-10-6-7-18(3)26(22)30-24(32)14-31-16-29-27-25(28(31)33)23(15-34-27)21-12-11-19-8-4-5-9-20(19)13-21/h6-7,10-13,15-17H,4-5,8-9,14H2,1-3H3,(H,30,32)
InChIKeyQDDAUHXLSFXINE-UHFFFAOYSA-N
XLogP6.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 23410681
2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 7710267
N-[2,6-di(propan-2-yl)phenyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 26675629
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 28528137
2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 40913592
N-(3,4-dichlorophenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40873340
butan-2-yl 2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetate
CID 44636659
diethyl 3-methyl-5-[[2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]thiophene-2,4-dicarboxylate
CID 23410405
N-(2,3-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595303
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
ethyl 2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]propanoate
CID 44636660
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1411991

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide (CID 23410198) is N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is QDDAUHXLSFXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-17(2)22-10-6-7-18(3)26(22)30-24(32)14-31-16-29-27-25(28(31)33)23(15-34-27)21-12-11-19-8-4-5-9-20(19)13-21/h6-7,10-13,15-17H,4-5,8-9,14H2,1-3H3,(H,30,32).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 471.63 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 23410198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).