N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide

C18H13ClF3N3O2S — CID 30144590

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c1-27-14-7-6-10(8-12(14)19)23-15(26)9-28-16-11-4-2-3-5-13(11)24-17(25-16)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)
InChIKeyFZAPIIPQUGKLOG-UHFFFAOYSA-N
MW427.84 g/mol
LogP5.04
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 30144590) has the molecular formula C18H13ClF3N3O2S and a molecular weight of 427.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID30144590
Molecular FormulaC18H13ClF3N3O2S
Molecular Weight427.84 g/mol
Exact Mass427.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c1-27-14-7-6-10(8-12(14)19)23-15(26)9-28-16-11-4-2-3-5-13(11)24-17(25-16)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)
InChIKeyFZAPIIPQUGKLOG-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332652
N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 60545390
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 8000000
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
N-(3-chloro-4-fluorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538606
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide (CID 30144590) is N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is FZAPIIPQUGKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2S/c1-27-14-7-6-10(8-12(14)19)23-15(26)9-28-16-11-4-2-3-5-13(11)24-17(25-16)18(20,21)22/h2-8H,9H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 427.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 30144590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).