N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide

C20H27N3O2S — CID 139622497

IUPACN-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
SMILESCCc1cc2cccnc2n(N(C(=O)CC(C)C)C(=O)CC(C)C)c1=S
InChIInChI=1S/C20H27N3O2S/c1-6-15-12-16-8-7-9-21-19(16)23(20(15)26)22(17(24)10-13(2)3)18(25)11-14(4)5/h7-9,12-14H,6,10-11H2,1-5H3
InChIKeyAQGIPLOTRMNAQA-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.41
Rot. Bonds6

About N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide

N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide (PubChem CID 139622497) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
PubChem CID139622497
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
SMILESCCc1cc2cccnc2n(N(C(=O)CC(C)C)C(=O)CC(C)C)c1=S
InChIInChI=1S/C20H27N3O2S/c1-6-15-12-16-8-7-9-21-19(16)23(20(15)26)22(17(24)10-13(2)3)18(25)11-14(4)5/h7-9,12-14H,6,10-11H2,1-5H3
InChIKeyAQGIPLOTRMNAQA-UHFFFAOYSA-N
XLogP4.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)-N-propanoylpropanamide
CID 139622725
N-hexadecanoyl-N-(3-methyl-2-sulfanylidene-1,8-naphthyridin-1-yl)hexadecanamide
CID 139622653
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
CID 139622440
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
N,N-dimethyl-2-pyrazolo[5,4-b]pyridin-1-ylacetamide
CID 154201052
1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
CID 150602716
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625
2-ethoxy-3-(2-methylpropyl)quinoline;quinoline
CID 174809217
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide?
The IUPAC name of N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide (CID 139622497) is N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide.
What is the SMILES notation for N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide?
The canonical SMILES for N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide is CCc1cc2cccnc2n(N(C(=O)CC(C)C)C(=O)CC(C)C)c1=S.
What is the InChIKey of N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide?
The InChIKey is AQGIPLOTRMNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-6-15-12-16-8-7-9-21-19(16)23(20(15)26)22(17(24)10-13(2)3)18(25)11-14(4)5/h7-9,12-14H,6,10-11H2,1-5H3.
What are the key properties of N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide?
N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide has a molecular weight of 373.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide is sourced from PubChem (CID 139622497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).