N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide

C21H20FN3OS — CID 39522568

IUPACN-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1CC1
InChIInChI=1S/C21H20FN3OS/c1-2-25(16-11-12-16)19(26)13-27-21-18-6-4-3-5-17(18)20(23-24-21)14-7-9-15(22)10-8-14/h3-10,16H,2,11-13H2,1H3
InChIKeyKCSIPVKHVNSQMW-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.54
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide

N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide (PubChem CID 39522568) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
PubChem CID39522568
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1CC1
InChIInChI=1S/C21H20FN3OS/c1-2-25(16-11-12-16)19(26)13-27-21-18-6-4-3-5-17(18)20(23-24-21)14-7-9-15(22)10-8-14/h3-10,16H,2,11-13H2,1H3
InChIKeyKCSIPVKHVNSQMW-UHFFFAOYSA-N
XLogP4.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide (CID 39522568) is N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide is CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The InChIKey is KCSIPVKHVNSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-2-25(16-11-12-16)19(26)13-27-21-18-6-4-3-5-17(18)20(23-24-21)14-7-9-15(22)10-8-14/h3-10,16H,2,11-13H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide is sourced from PubChem (CID 39522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).