N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide

C18H25N3O3S — CID 20629143

IUPACN-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3O3S/c1-13(2)25(23,24)19-11-7-6-10-18(22)21-17-12-14(3)20-16-9-5-4-8-15(16)17/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H,20,21,22)
InChIKeyKHYIIBRVNGSRMY-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.98
Rot. Bonds8

About N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629143) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629143
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3O3S/c1-13(2)25(23,24)19-11-7-6-10-18(22)21-17-12-14(3)20-16-9-5-4-8-15(16)17/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H,20,21,22)
InChIKeyKHYIIBRVNGSRMY-UHFFFAOYSA-N
XLogP2.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629143) is N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide is Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is KHYIIBRVNGSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13(2)25(23,24)19-11-7-6-10-18(22)21-17-12-14(3)20-16-9-5-4-8-15(16)17/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 363.48 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).