3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide

C22H25N3O3S — CID 29330631

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)17-8-10-19(11-9-17)29(27,28)24-13-12-21(26)25-18-14-16-6-4-5-7-20(16)23-15-18/h4-11,14-15,24H,12-13H2,1-3H3,(H,25,26)
InChIKeyUJESNTZOBJRZQE-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.84
Rot. Bonds6

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide (PubChem CID 29330631) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
PubChem CID29330631
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)17-8-10-19(11-9-17)29(27,28)24-13-12-21(26)25-18-14-16-6-4-5-7-20(16)23-15-18/h4-11,14-15,24H,12-13H2,1-3H3,(H,25,26)
InChIKeyUJESNTZOBJRZQE-UHFFFAOYSA-N
XLogP3.84
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 9211693
3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 60516647
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide (CID 29330631) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide?
The InChIKey is UJESNTZOBJRZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-22(2,3)17-8-10-19(11-9-17)29(27,28)24-13-12-21(26)25-18-14-16-6-4-5-7-20(16)23-15-18/h4-11,14-15,24H,12-13H2,1-3H3,(H,25,26).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide has a molecular weight of 411.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 29330631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).