N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide

C24H31N5O3S2 — CID 19012991

IUPACN-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(CCCSc3ncc[nH]3)C(=O)N3CCC(C)CC3)cccc2c1
InChIInChI=1S/C24H31N5O3S2/c1-17-8-12-29(13-9-17)23(30)20(6-4-14-33-24-25-10-11-26-24)28-34(31,32)21-7-3-5-19-15-18(2)16-27-22(19)21/h3,5,7,10-11,15-17,20,28H,4,6,8-9,12-14H2,1-2H3,(H,25,26)
InChIKeyVJHLGMDZWOWLAB-UHFFFAOYSA-N
MW501.68 g/mol
LogP3.74
Rot. Bonds9

About N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide

N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide (PubChem CID 19012991) has the molecular formula C24H31N5O3S2 and a molecular weight of 501.68 g/mol. Its IUPAC name is N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide
PubChem CID19012991
Molecular FormulaC24H31N5O3S2
Molecular Weight501.68 g/mol
Exact Mass501.19
IUPAC NameN-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(CCCSc3ncc[nH]3)C(=O)N3CCC(C)CC3)cccc2c1
InChIInChI=1S/C24H31N5O3S2/c1-17-8-12-29(13-9-17)23(30)20(6-4-14-33-24-25-10-11-26-24)28-34(31,32)21-7-3-5-19-15-18(2)16-27-22(19)21/h3,5,7,10-11,15-17,20,28H,4,6,8-9,12-14H2,1-2H3,(H,25,26)
InChIKeyVJHLGMDZWOWLAB-UHFFFAOYSA-N
XLogP3.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.68
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide 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-[(2S)-5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CID 18654097
N-[(2S)-1-(4-ethylpiperidin-1-yl)-4-(1H-imidazol-5-ylmethylsulfanyl)-1-oxobutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 54042720
(2R,4R)-1-[(2S)-5-amino-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 163202955
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
(2S,4S)-1-[(2R)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 124762465
(2S,4R)-1-[(2R)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 124762464
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
(3S)-N-[5-iodo-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CID 70051391
N-[5-hydroxy-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CID 19012990
2-[1-[(2S)-3-(1,3-benzoxazol-2-yl)-2-[(3-methylquinolin-8-yl)sulfonylamino]propanoyl]piperidin-4-yl]ethyl acetate
CID 70088817
N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 66997380
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide (CID 19012991) is N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC(CCCSc3ncc[nH]3)C(=O)N3CCC(C)CC3)cccc2c1.
What is the InChIKey of N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide?
The InChIKey is VJHLGMDZWOWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S2/c1-17-8-12-29(13-9-17)23(30)20(6-4-14-33-24-25-10-11-26-24)28-34(31,32)21-7-3-5-19-15-18(2)16-27-22(19)21/h3,5,7,10-11,15-17,20,28H,4,6,8-9,12-14H2,1-2H3,(H,25,26).
What are the key properties of N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide?
N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide has a molecular weight of 501.68 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 19012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).