2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide

C18H25N3O3S — CID 113071747

IUPAC2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S/c1-4-14(5-2)18(22)20-12-13-21(25(3,23)24)16-10-6-8-15-9-7-11-19-17(15)16/h6-11,14H,4-5,12-13H2,1-3H3,(H,20,22)
InChIKeyFRAMAVXCRNUCKG-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.55
Rot. Bonds8

About 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide

2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide (PubChem CID 113071747) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
PubChem CID113071747
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S/c1-4-14(5-2)18(22)20-12-13-21(25(3,23)24)16-10-6-8-15-9-7-11-19-17(15)16/h6-11,14H,4-5,12-13H2,1-3H3,(H,20,22)
InChIKeyFRAMAVXCRNUCKG-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide (CID 113071747) is 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide is CCC(CC)C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide?
The InChIKey is FRAMAVXCRNUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-14(5-2)18(22)20-12-13-21(25(3,23)24)16-10-6-8-15-9-7-11-19-17(15)16/h6-11,14H,4-5,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide?
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide has a molecular weight of 363.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide is sourced from PubChem (CID 113071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).