N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C20H17F2N3O3S — CID 2680927

IUPACN-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)NC1CC1
InChIInChI=1S/C20H17F2N3O3S/c21-19(22)28-14-9-7-13(8-10-14)25-18(27)15-3-1-2-4-16(15)24-20(25)29-11-17(26)23-12-5-6-12/h1-4,7-10,12,19H,5-6,11H2,(H,23,26)
InChIKeyLSJXHRFAKSFURT-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.36
Rot. Bonds7

About N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 2680927) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID2680927
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)NC1CC1
InChIInChI=1S/C20H17F2N3O3S/c21-19(22)28-14-9-7-13(8-10-14)25-18(27)15-3-1-2-4-16(15)24-20(25)29-11-17(26)23-12-5-6-12/h1-4,7-10,12,19H,5-6,11H2,(H,23,26)
InChIKeyLSJXHRFAKSFURT-UHFFFAOYSA-N
XLogP3.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 2680927) is N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is LSJXHRFAKSFURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-19(22)28-14-9-7-13(8-10-14)25-18(27)15-3-1-2-4-16(15)24-20(25)29-11-17(26)23-12-5-6-12/h1-4,7-10,12,19H,5-6,11H2,(H,23,26).
What are the key properties of N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 417.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2680927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).