N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide

C23H26N2OS — CID 7363691

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc([C@@H](C)NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C23H26N2OS/c1-14-9-10-19(11-16(14)3)18(5)24-21(26)13-27-22-12-17(4)20-8-6-7-15(2)23(20)25-22/h6-12,18H,13H2,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyPGAVALDCVFMTRX-GOSISDBHSA-N
MW378.54 g/mol
LogP5.44
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 7363691) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID7363691
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc([C@@H](C)NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C23H26N2OS/c1-14-9-10-19(11-16(14)3)18(5)24-21(26)13-27-22-12-17(4)20-8-6-7-15(2)23(20)25-22/h6-12,18H,13H2,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyPGAVALDCVFMTRX-GOSISDBHSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8916888
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7630283
propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7363744
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7363821
2-(2-chlorophenyl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7760987
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide (CID 7363691) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide is Cc1ccc([C@@H](C)NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1C.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is PGAVALDCVFMTRX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-14-9-10-19(11-16(14)3)18(5)24-21(26)13-27-22-12-17(4)20-8-6-7-15(2)23(20)25-22/h6-12,18H,13H2,1-5H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 378.54 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7363691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).