N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide

C20H20N2OS — CID 159978854

IUPACN-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C20H20N2OS/c1-14(2)22(13-15-7-4-3-5-8-15)20(23)17-10-11-18(24)19-16(17)9-6-12-21-19/h3-12,14,24H,13H2,1-2H3
InChIKeyOFMTTXHSWDBGRC-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.57
Rot. Bonds4

About N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide

N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide (PubChem CID 159978854) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
PubChem CID159978854
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C20H20N2OS/c1-14(2)22(13-15-7-4-3-5-8-15)20(23)17-10-11-18(24)19-16(17)9-6-12-21-19/h3-12,14,24H,13H2,1-2H3
InChIKeyOFMTTXHSWDBGRC-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
CID 157109723
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
5-phenyl-1-(8-sulfanylquinolin-5-yl)pentan-1-one
CID 161319830
N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
CID 161259110
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
4-methyl-1-(8-sulfanylquinolin-4-yl)pentan-1-one
CID 161265475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide (CID 159978854) is N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(S)c2ncccc12.
What is the InChIKey of N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide?
The InChIKey is OFMTTXHSWDBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14(2)22(13-15-7-4-3-5-8-15)20(23)17-10-11-18(24)19-16(17)9-6-12-21-19/h3-12,14,24H,13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide?
N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide is sourced from PubChem (CID 159978854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).