N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

C27H25N5O2S — CID 46513169

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)NC(c4ccccc4)c4nccn4C)c(=O)c23)cc1
InChIInChI=1S/C27H25N5O2S/c1-18-8-10-19(11-9-18)21-16-35-26-23(21)27(34)32(17-29-26)14-12-22(33)30-24(20-6-4-3-5-7-20)25-28-13-15-31(25)2/h3-11,13,15-17,24H,12,14H2,1-2H3,(H,30,33)
InChIKeyBOULVPVMFSYIRE-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.46
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 46513169) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
PubChem CID46513169
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)NC(c4ccccc4)c4nccn4C)c(=O)c23)cc1
InChIInChI=1S/C27H25N5O2S/c1-18-8-10-19(11-9-18)21-16-35-26-23(21)27(34)32(17-29-26)14-12-22(33)30-24(20-6-4-3-5-7-20)25-28-13-15-31(25)2/h3-11,13,15-17,24H,12,14H2,1-2H3,(H,30,33)
InChIKeyBOULVPVMFSYIRE-UHFFFAOYSA-N
XLogP4.46
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 55452709
N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-(3-aminobutyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 119499343
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209
N-(2-amino-1-cyclopropylethyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide;hydrochloride
CID 119617445
N-(3-hydroxy-2-pyridinyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30162425
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 24597080
N-[cyano-(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 56515392
N-(2-methoxyethyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27659439
N-cycloheptyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27646902
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
CID 46568392
2-fluoro-N-[2-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]ethyl]benzamide
CID 55974695

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (CID 46513169) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is Cc1ccc(-c2csc3ncn(CCC(=O)NC(c4ccccc4)c4nccn4C)c(=O)c23)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The InChIKey is BOULVPVMFSYIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-18-8-10-19(11-9-18)21-16-35-26-23(21)27(34)32(17-29-26)14-12-22(33)30-24(20-6-4-3-5-7-20)25-28-13-15-31(25)2/h3-11,13,15-17,24H,12,14H2,1-2H3,(H,30,33).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 483.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 46513169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).