N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

C23H19F2N3O3S — CID 34273952

IUPACN-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(OC(F)F)cc4)c(=O)c23)cc1
InChIInChI=1S/C23H19F2N3O3S/c1-14-2-4-15(5-3-14)18-12-32-21-20(18)22(30)28(13-26-21)11-10-19(29)27-16-6-8-17(9-7-16)31-23(24)25/h2-9,12-13,23H,10-11H2,1H3,(H,27,29)
InChIKeyMFFDIIOVDHHQIY-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.06
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 34273952) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
PubChem CID34273952
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(OC(F)F)cc4)c(=O)c23)cc1
InChIInChI=1S/C23H19F2N3O3S/c1-14-2-4-15(5-3-14)18-12-32-21-20(18)22(30)28(13-26-21)11-10-19(29)27-16-6-8-17(9-7-16)31-23(24)25/h2-9,12-13,23H,10-11H2,1H3,(H,27,29)
InChIKeyMFFDIIOVDHHQIY-UHFFFAOYSA-N
XLogP5.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide 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

2-methyl-N-[4-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]phenyl]propanamide
CID 46669196
N-(4-ethylsulfonylphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30179912
N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-(3-methoxyphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 25489340
N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide
CID 24532164
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
CID 46568392
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 40913605
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-prop-2-enylpropanamide
CID 27007435
N-(3-hydroxy-2-pyridinyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30162425
N-(2-methoxyethyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27659439
methyl 4-[[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883642

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (CID 34273952) is N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(OC(F)F)cc4)c(=O)c23)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
The InChIKey is MFFDIIOVDHHQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-14-2-4-15(5-3-14)18-12-32-21-20(18)22(30)28(13-26-21)11-10-19(29)27-16-6-8-17(9-7-16)31-23(24)25/h2-9,12-13,23H,10-11H2,1H3,(H,27,29).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?
N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 455.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 34273952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).