N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C26H25N3O3S — CID 20950529

IUPACN-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCc1cccc(N(C)C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C26H25N3O3S/c1-19-9-6-14-22(17-19)29(2)26(30)23(18-20-10-4-3-5-11-20)28-33(31,32)24-15-7-12-21-13-8-16-27-25(21)24/h3-17,23,28H,18H2,1-2H3
InChIKeyJLIYSWGFJBYVQF-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.10
Rot. Bonds7

About N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20950529) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20950529
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCc1cccc(N(C)C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C26H25N3O3S/c1-19-9-6-14-22(17-19)29(2)26(30)23(18-20-10-4-3-5-11-20)28-33(31,32)24-15-7-12-21-13-8-16-27-25(21)24/h3-17,23,28H,18H2,1-2H3
InChIKeyJLIYSWGFJBYVQF-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 159796382
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 20857031
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide
CID 20950520
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20950529) is N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is Cc1cccc(N(C)C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is JLIYSWGFJBYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-19-9-6-14-22(17-19)29(2)26(30)23(18-20-10-4-3-5-11-20)28-33(31,32)24-15-7-12-21-13-8-16-27-25(21)24/h3-17,23,28H,18H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 459.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).