2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C25H29N3O3S2 — CID 1176111

IUPAC2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C25H29N3O3S2/c1-17-7-6-9-20-15-18(2)25(27-24(17)20)32-16-23(29)26-21-10-12-22(13-11-21)33(30,31)28-14-5-4-8-19(28)3/h6-7,9-13,15,19H,4-5,8,14,16H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyDPYBXKWNWGAEKC-IBGZPJMESA-N
MW483.66 g/mol
LogP5.15
Rot. Bonds6

About 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1176111) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID1176111
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Name2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C25H29N3O3S2/c1-17-7-6-9-20-15-18(2)25(27-24(17)20)32-16-23(29)26-21-10-12-22(13-11-21)33(30,31)28-14-5-4-8-19(28)3/h6-7,9-13,15,19H,4-5,8,14,16H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyDPYBXKWNWGAEKC-IBGZPJMESA-N
XLogP5.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide with MolForge

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1140841
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
1-(2-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]urea
CID 27521233
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812187
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 164997311
N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 98096804
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1140827
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062

Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 1176111) is 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is Cc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DPYBXKWNWGAEKC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-17-7-6-9-20-15-18(2)25(27-24(17)20)32-16-23(29)26-21-10-12-22(13-11-21)33(30,31)28-14-5-4-8-19(28)3/h6-7,9-13,15,19H,4-5,8,14,16H2,1-3H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 483.66 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1176111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).