N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide

C20H18F2N4O3S — CID 46606184

IUPACN-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCCn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C20H18F2N4O3S/c1-2-26-19(29)13-5-3-4-6-16(13)25-20(26)30-11-18(28)23-10-17(27)24-12-7-8-14(21)15(22)9-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyMUNGGSINRKGICL-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.54
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide (PubChem CID 46606184) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide
PubChem CID46606184
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCCn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C20H18F2N4O3S/c1-2-26-19(29)13-5-3-4-6-16(13)25-20(26)30-11-18(28)23-10-17(27)24-12-7-8-14(21)15(22)9-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyMUNGGSINRKGICL-UHFFFAOYSA-N
XLogP2.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]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

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 4006012
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
N-(3,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490289
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7559078
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 163408939
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 23960163
2-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 23101030
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
CID 26663224
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
CID 3961652

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide (CID 46606184) is N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide is CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is MUNGGSINRKGICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-2-26-19(29)13-5-3-4-6-16(13)25-20(26)30-11-18(28)23-10-17(27)24-12-7-8-14(21)15(22)9-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 432.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 46606184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).