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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
1-(3,4-Dimethylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 3550987
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-naphthalen-1-yl-acetamide
CID 1153704
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino](naphthalen-2-ylamino)methylidene]acetamide
CID 135481566
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)propanamide
CID 851328
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(1,1-dimethyl-propyl)-acetamide
CID 1442570
2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
CID 2012473
N-(1-phenylethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide
CID 3143970
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-butyl-acetamide
CID 3221474

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).