N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

C19H16ClN3OS — CID 1435072

IUPACN-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN3OS/c20-14-6-2-4-8-16(14)21-17(24)11-25-19-13-5-1-3-7-15(13)22-18(23-19)12-9-10-12/h1-8,12H,9-11H2,(H,21,24)
InChIKeyXIIGTSDVNAOWPT-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.89
Rot. Bonds5

About N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1435072) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
PubChem CID1435072
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN3OS/c20-14-6-2-4-8-16(14)21-17(24)11-25-19-13-5-1-3-7-15(13)22-18(23-19)12-9-10-12/h1-8,12H,9-11H2,(H,21,24)
InChIKeyXIIGTSDVNAOWPT-UHFFFAOYSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (CID 1435072) is N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is XIIGTSDVNAOWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-14-6-2-4-8-16(14)21-17(24)11-25-19-13-5-1-3-7-15(13)22-18(23-19)12-9-10-12/h1-8,12H,9-11H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 369.88 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1435072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).