2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

C21H21FN4O2S — CID 9323614

IUPAC2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C21H21FN4O2S/c1-2-26(12-19(27)23-11-15-7-9-16(22)10-8-15)20(28)13-29-21-17-5-3-4-6-18(17)24-14-25-21/h3-10,14H,2,11-13H2,1H3,(H,23,27)
InChIKeyPBSSSMKLXSFUPC-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.03
Rot. Bonds8

About 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9323614) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9323614
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C21H21FN4O2S/c1-2-26(12-19(27)23-11-15-7-9-16(22)10-8-15)20(28)13-29-21-17-5-3-4-6-18(17)24-14-25-21/h3-10,14H,2,11-13H2,1H3,(H,23,27)
InChIKeyPBSSSMKLXSFUPC-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9321843
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
3-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 8960643
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 9323614) is 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncnc2ccccc12.
What is the InChIKey of 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PBSSSMKLXSFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-2-26(12-19(27)23-11-15-7-9-16(22)10-8-15)20(28)13-29-21-17-5-3-4-6-18(17)24-14-25-21/h3-10,14H,2,11-13H2,1H3,(H,23,27).
What are the key properties of 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9323614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).