N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide

C20H23N3O2S2 — CID 8807350

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccsc1CN(C)C(=O)CSc1nc2ccccc2c(=O)n1C(C)C
InChIInChI=1S/C20H23N3O2S2/c1-13(2)23-19(25)15-7-5-6-8-16(15)21-20(23)27-12-18(24)22(4)11-17-14(3)9-10-26-17/h5-10,13H,11-12H2,1-4H3
InChIKeyBTEVTIRSOVTCNA-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.10
Rot. Bonds6

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide (PubChem CID 8807350) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
PubChem CID8807350
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccsc1CN(C)C(=O)CSc1nc2ccccc2c(=O)n1C(C)C
InChIInChI=1S/C20H23N3O2S2/c1-13(2)23-19(25)15-7-5-6-8-16(15)21-20(23)27-12-18(24)22(4)11-17-14(3)9-10-26-17/h5-10,13H,11-12H2,1-4H3
InChIKeyBTEVTIRSOVTCNA-UHFFFAOYSA-N
XLogP4.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-benzyl-N-methyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 42001777
N-benzyl-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2521772
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 7427701
N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 7427950
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2529335
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N-benzyl-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 4819039
N-[(3-fluorophenyl)methyl]-N-methyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9360834
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8807428

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide (CID 8807350) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide is Cc1ccsc1CN(C)C(=O)CSc1nc2ccccc2c(=O)n1C(C)C.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is BTEVTIRSOVTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-13(2)23-19(25)15-7-5-6-8-16(15)21-20(23)27-12-18(24)22(4)11-17-14(3)9-10-26-17/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 401.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8807350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).