2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C21H23N3O2S — CID 135821147

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-4-24(20(25)13-27-16-10-9-14(2)15(3)11-16)12-19-22-18-8-6-5-7-17(18)21(26)23-19/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)
InChIKeyIZXPMZTWBSDUBC-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.68
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135821147) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135821147
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-4-24(20(25)13-27-16-10-9-14(2)15(3)11-16)12-19-22-18-8-6-5-7-17(18)21(26)23-19/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)
InChIKeyIZXPMZTWBSDUBC-UHFFFAOYSA-N
XLogP3.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 135579915
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-benzyl-2-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738118
4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135549167
2-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135821189
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137309623
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 135907474
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135821147) is 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is IZXPMZTWBSDUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-24(20(25)13-27-16-10-9-14(2)15(3)11-16)12-19-22-18-8-6-5-7-17(18)21(26)23-19/h5-11H,4,12-13H2,1-3H3,(H,22,23,26).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135821147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).