3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide

C26H21N5O3S2 — CID 42662381

IUPAC3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H21N5O3S2/c32-24(28-26-30-29-25(35-26)20-11-5-2-6-12-20)21(17-18-9-3-1-4-10-18)31-36(33,34)22-15-7-13-19-14-8-16-27-23(19)22/h1-16,21,31H,17H2,(H,28,30,32)
InChIKeyJPZDCGPGBORADV-UHFFFAOYSA-N
MW515.62 g/mol
LogP4.28
Rot. Bonds8

About 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide

3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 42662381) has the molecular formula C26H21N5O3S2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID42662381
Molecular FormulaC26H21N5O3S2
Molecular Weight515.62 g/mol
Exact Mass515.11
IUPAC Name3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H21N5O3S2/c32-24(28-26-30-29-25(35-26)20-11-5-2-6-12-20)21(17-18-9-3-1-4-10-18)31-36(33,34)22-15-7-13-19-14-8-16-27-23(19)22/h1-16,21,31H,17H2,(H,28,30,32)
InChIKeyJPZDCGPGBORADV-UHFFFAOYSA-N
XLogP4.28
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide
CID 93100762
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649253
(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-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 159796382
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 5200620
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 42758234
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534
N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950529
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35568353
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
CID 70062047

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide (CID 42662381) is 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide is O=C(Nc1nnc(-c2ccccc2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is JPZDCGPGBORADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S2/c32-24(28-26-30-29-25(35-26)20-11-5-2-6-12-20)21(17-18-9-3-1-4-10-18)31-36(33,34)22-15-7-13-19-14-8-16-27-23(19)22/h1-16,21,31H,17H2,(H,28,30,32).
What are the key properties of 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide?
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 515.62 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 42662381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).