N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

C21H23N3O3S2 — CID 27352073

IUPACN-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)s1
InChIInChI=1S/C21H23N3O3S2/c1-13(2)24-20(27)16-6-4-5-7-17(16)23-21(24)28-12-18(26)19-9-8-15(29-19)10-11-22-14(3)25/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyXHQGBQHPMNXGEJ-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.69
Rot. Bonds8

About N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 27352073) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID27352073
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)s1
InChIInChI=1S/C21H23N3O3S2/c1-13(2)24-20(27)16-6-4-5-7-17(16)23-21(24)28-12-18(26)19-9-8-15(29-19)10-11-22-14(3)25/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyXHQGBQHPMNXGEJ-UHFFFAOYSA-N
XLogP3.69
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide 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

N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 55448248
2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 2415419
6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
CID 55427480
3-[(2S)-butan-2-yl]-2-phenacylsulfanylquinazolin-4-one
CID 2624453
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235207
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 7427701
2-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 42986120
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (CID 27352073) is N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)s1.
What is the InChIKey of N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is XHQGBQHPMNXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-13(2)24-20(27)16-6-4-5-7-17(16)23-21(24)28-12-18(26)19-9-8-15(29-19)10-11-22-14(3)25/h4-9,13H,10-12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 429.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 27352073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).