3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide

C20H15N3O2S — CID 9110957

IUPAC3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
InChIInChI=1S/C20H15N3O2S/c1-13-3-2-4-14(11-13)18(24)23-15-5-7-16(8-6-15)25-19-17-9-10-26-20(17)22-12-21-19/h2-12H,1H3,(H,23,24)
InChIKeyUTIGOFXRDHOYIU-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.04
Rot. Bonds4

About 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide

3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide (PubChem CID 9110957) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
PubChem CID9110957
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
InChIInChI=1S/C20H15N3O2S/c1-13-3-2-4-14(11-13)18(24)23-15-5-7-16(8-6-15)25-19-17-9-10-26-20(17)22-12-21-19/h2-12H,1H3,(H,23,24)
InChIKeyUTIGOFXRDHOYIU-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
CID 24661832
N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetamide
CID 8933027
N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 56820177
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
methyl 2,5-dimethyl-4-[4-[(3-methylbenzoyl)amino]phenoxy]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26441937
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide?
The IUPAC name of 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide (CID 9110957) is 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1.
What is the InChIKey of 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide?
The InChIKey is UTIGOFXRDHOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-3-2-4-14(11-13)18(24)23-15-5-7-16(8-6-15)25-19-17-9-10-26-20(17)22-12-21-19/h2-12H,1H3,(H,23,24).
What are the key properties of 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide?
3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide has a molecular weight of 361.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 9110957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).