N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C27H27N3O3S — CID 20950534

IUPACN-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCc1ccc(C)c(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C27H27N3O3S/c1-19-13-14-20(2)23(16-19)18-29-27(31)24(17-21-8-4-3-5-9-21)30-34(32,33)25-12-6-10-22-11-7-15-28-26(22)25/h3-16,24,30H,17-18H2,1-2H3,(H,29,31)
InChIKeyRNHKNDOZLFDGMT-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.06
Rot. Bonds8

About N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20950534) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20950534
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCc1ccc(C)c(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C27H27N3O3S/c1-19-13-14-20(2)23(16-19)18-29-27(31)24(17-21-8-4-3-5-9-21)30-34(32,33)25-12-6-10-22-11-7-15-28-26(22)25/h3-16,24,30H,17-18H2,1-2H3,(H,29,31)
InChIKeyRNHKNDOZLFDGMT-UHFFFAOYSA-N
XLogP4.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 159796382
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
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191855
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
(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-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20950534) is N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is Cc1ccc(C)c(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is RNHKNDOZLFDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-19-13-14-20(2)23(16-19)18-29-27(31)24(17-21-8-4-3-5-9-21)30-34(32,33)25-12-6-10-22-11-7-15-28-26(22)25/h3-16,24,30H,17-18H2,1-2H3,(H,29,31).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 473.60 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20950534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).