N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide

C22H25N3O4S — CID 20950551

IUPACN-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
SMILESCCOc1ccccc1NC(=O)C(NS(=O)(=O)c1cccc2cccnc12)C(C)C
InChIInChI=1S/C22H25N3O4S/c1-4-29-18-12-6-5-11-17(18)24-22(26)20(15(2)3)25-30(27,28)19-13-7-9-16-10-8-14-23-21(16)19/h5-15,20,25H,4H2,1-3H3,(H,24,26)
InChIKeyBMOQAGVLUROVBK-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.58
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide

N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide (PubChem CID 20950551) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
PubChem CID20950551
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
SMILESCCOc1ccccc1NC(=O)C(NS(=O)(=O)c1cccc2cccnc12)C(C)C
InChIInChI=1S/C22H25N3O4S/c1-4-29-18-12-6-5-11-17(18)24-22(26)20(15(2)3)25-30(27,28)19-13-7-9-16-10-8-14-23-21(16)19/h5-15,20,25H,4H2,1-3H3,(H,24,26)
InChIKeyBMOQAGVLUROVBK-UHFFFAOYSA-N
XLogP3.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 20862203
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584
(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide
CID 93100762
(2R)-N-(4-bromo-3-methylphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708592
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 5200620
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 8926946
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
3-methyl-N-naphthalen-1-yl-2-[(2-nitrophenyl)sulfonylamino]butanamide
CID 2891907

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide (CID 20950551) is N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide is CCOc1ccccc1NC(=O)C(NS(=O)(=O)c1cccc2cccnc12)C(C)C.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide?
The InChIKey is BMOQAGVLUROVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-4-29-18-12-6-5-11-17(18)24-22(26)20(15(2)3)25-30(27,28)19-13-7-9-16-10-8-14-23-21(16)19/h5-15,20,25H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide?
N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide has a molecular weight of 427.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide is sourced from PubChem (CID 20950551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).