N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide

C26H26N4O4S — CID 24532164

IUPACN'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)NNC(=O)c4ccc(OC(C)C)cc4)c(=O)c23)cc1
InChIInChI=1S/C26H26N4O4S/c1-16(2)34-20-10-8-19(9-11-20)24(32)29-28-22(31)12-13-30-15-27-25-23(26(30)33)21(14-35-25)18-6-4-17(3)5-7-18/h4-11,14-16H,12-13H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyKYEQRXOZGNIOFY-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.07
Rot. Bonds7

About N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide

N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 24532164) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide
PubChem CID24532164
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCc1ccc(-c2csc3ncn(CCC(=O)NNC(=O)c4ccc(OC(C)C)cc4)c(=O)c23)cc1
InChIInChI=1S/C26H26N4O4S/c1-16(2)34-20-10-8-19(9-11-20)24(32)29-28-22(31)12-13-30-15-27-25-23(26(30)33)21(14-35-25)18-6-4-17(3)5-7-18/h4-11,14-16H,12-13H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyKYEQRXOZGNIOFY-UHFFFAOYSA-N
XLogP4.07
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 34273952
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209
N-(2-methoxyethyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27659439
2-methyl-N-[4-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]phenyl]propanamide
CID 46669196
N-(3-aminobutyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 119499343
N-(3-ethoxypropyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27680838
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-prop-2-enylpropanamide
CID 27007435
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 40913605
N-cycloheptyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27646902
N-(3-methoxyphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 25489340
N-(2-amino-1-cyclopropylethyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide;hydrochloride
CID 119617445

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide (CID 24532164) is N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide is Cc1ccc(-c2csc3ncn(CCC(=O)NNC(=O)c4ccc(OC(C)C)cc4)c(=O)c23)cc1.
What is the InChIKey of N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is KYEQRXOZGNIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-16(2)34-20-10-8-19(9-11-20)24(32)29-28-22(31)12-13-30-15-27-25-23(26(30)33)21(14-35-25)18-6-4-17(3)5-7-18/h4-11,14-16H,12-13H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide?
N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 490.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 24532164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).