N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide

C17H15N3OS — CID 56784451

IUPACN-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide
SMILESCNC(=O)c1ccc(CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-18-16(21)13-8-6-12(7-9-13)11-22-17-15-5-3-2-4-14(15)10-19-20-17/h2-10H,11H2,1H3,(H,18,21)
InChIKeyKBSJZNMGIKFCMO-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide

N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide (PubChem CID 56784451) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide
PubChem CID56784451
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide
SMILESCNC(=O)c1ccc(CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-18-16(21)13-8-6-12(7-9-13)11-22-17-15-5-3-2-4-14(15)10-19-20-17/h2-10H,11H2,1H3,(H,18,21)
InChIKeyKBSJZNMGIKFCMO-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methylsulfanyl]phthalazine
CID 51112625
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
methyl 4-(naphthalen-1-ylsulfanylmethyl)benzoate
CID 126179692
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
methyl 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate
CID 5292677
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
1-(3-chloropropylsulfanyl)phthalazine
CID 66126551
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide?
The IUPAC name of N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide (CID 56784451) is N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide is CNC(=O)c1ccc(CSc2nncc3ccccc23)cc1.
What is the InChIKey of N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide?
The InChIKey is KBSJZNMGIKFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-18-16(21)13-8-6-12(7-9-13)11-22-17-15-5-3-2-4-14(15)10-19-20-17/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide?
N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide has a molecular weight of 309.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 56784451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).