2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide

C25H23N3OS — CID 2914369

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nc(C)cc(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H23N3OS/c1-3-23(24(29)27-21-15-9-13-18-10-7-8-14-20(18)21)30-25-26-17(2)16-22(28-25)19-11-5-4-6-12-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKeyLZGHPNMDCRCEHB-UHFFFAOYSA-N
MW413.55 g/mol
LogP6.11
Rot. Bonds6

About 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide (PubChem CID 2914369) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide
PubChem CID2914369
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nc(C)cc(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H23N3OS/c1-3-23(24(29)27-21-15-9-13-18-10-7-8-14-20(18)21)30-25-26-17(2)16-22(28-25)19-11-5-4-6-12-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKeyLZGHPNMDCRCEHB-UHFFFAOYSA-N
XLogP6.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide (CID 2914369) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide is CCC(Sc1nc(C)cc(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide?
The InChIKey is LZGHPNMDCRCEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-3-23(24(29)27-21-15-9-13-18-10-7-8-14-20(18)21)30-25-26-17(2)16-22(28-25)19-11-5-4-6-12-19/h4-16,23H,3H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide has a molecular weight of 413.55 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 2914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).