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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Related Compounds

2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 6411346
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-methylacetamide
CID 25340528
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7239451
1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone
CID 7296351
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7296297
N-tert-butyl-2-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-methylamino]acetamide
CID 34667199
3-(N-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]anilino)propanamide
CID 24527121
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 98298238
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 6411716
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 6409017
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 8023932
N-(1-adamantyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 3942658

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).