N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C51H48N6O6S2 — CID 159796382

IUPACN-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1.Cc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C26H25N3O3S.C25H23N3O3S/c1-2-19-13-15-22(16-14-19)28-26(30)23(18-20-8-4-3-5-9-20)29-33(31,32)24-12-6-10-21-11-7-17-27-25(21)24;1-18-12-14-21(15-13-18)27-25(29)22(17-19-7-3-2-4-8-19)28-32(30,31)23-11-5-9-20-10-6-16-26-24(20)23/h3-17,23,29H,2,18H2,1H3,(H,28,30);2-16,22,28H,17H2,1H3,(H,27,29)
InChIKeyNJFMNMCZJKAPPT-UHFFFAOYSA-N
MW905.12 g/mol
LogP8.40
Rot. Bonds15

About N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 159796382) has the molecular formula C51H48N6O6S2 and a molecular weight of 905.12 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID159796382
Molecular FormulaC51H48N6O6S2
Molecular Weight905.12 g/mol
Exact Mass904.31
IUPAC NameN-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1.Cc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C26H25N3O3S.C25H23N3O3S/c1-2-19-13-15-22(16-14-19)28-26(30)23(18-20-8-4-3-5-9-20)29-33(31,32)24-12-6-10-21-11-7-17-27-25(21)24;1-18-12-14-21(15-13-18)27-25(29)22(17-19-7-3-2-4-8-19)28-32(30,31)23-11-5-9-20-10-6-16-26-24(20)23/h3-17,23,29H,2,18H2,1H3,(H,28,30);2-16,22,28H,17H2,1H3,(H,27,29)
InChIKeyNJFMNMCZJKAPPT-UHFFFAOYSA-N
XLogP8.40
TPSA176.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 58.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950529
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2S)-N-[(2S)-1-oxo-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propan-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 90663081
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 159796382) is N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is CCc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1.Cc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is NJFMNMCZJKAPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S.C25H23N3O3S/c1-2-19-13-15-22(16-14-19)28-26(30)23(18-20-8-4-3-5-9-20)29-33(31,32)24-12-6-10-21-11-7-17-27-25(21)24;1-18-12-14-21(15-13-18)27-25(29)22(17-19-7-3-2-4-8-19)28-32(30,31)23-11-5-9-20-10-6-16-26-24(20)23/h3-17,23,29H,2,18H2,1H3,(H,28,30);2-16,22,28H,17H2,1H3,(H,27,29).
What are the key properties of N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 905.12 g/mol, XLogP of 8.40, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 159796382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).