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

C26H20ClN5O3S2 — CID 42758232

IUPACN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H20ClN5O3S2/c27-20-12-4-10-19(16-20)25-30-31-26(36-25)29-24(33)21(15-17-7-2-1-3-8-17)32-37(34,35)22-13-5-9-18-11-6-14-28-23(18)22/h1-14,16,21,32H,15H2,(H,29,31,33)
InChIKeyPEOUTURTEVORIR-UHFFFAOYSA-N
MW550.07 g/mol
LogP4.93
Rot. Bonds8

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

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 42758232) has the molecular formula C26H20ClN5O3S2 and a molecular weight of 550.07 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID42758232
Molecular FormulaC26H20ClN5O3S2
Molecular Weight550.07 g/mol
Exact Mass549.07
IUPAC NameN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H20ClN5O3S2/c27-20-12-4-10-19(16-20)25-30-31-26(36-25)29-24(33)21(15-17-7-2-1-3-8-17)32-37(34,35)22-13-5-9-18-11-6-14-28-23(18)22/h1-14,16,21,32H,15H2,(H,29,31,33)
InChIKeyPEOUTURTEVORIR-UHFFFAOYSA-N
XLogP4.93
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.07
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
(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
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 5200620
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 3631473
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 42758234
(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
CID 93100701
3,4-dichloro-N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42662257
(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-[(2S)-1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 92961246
N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 159796382
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 42758232) is N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is O=C(Nc1nnc(-c2cccc(Cl)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is PEOUTURTEVORIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O3S2/c27-20-12-4-10-19(16-20)25-30-31-26(36-25)29-24(33)21(15-17-7-2-1-3-8-17)32-37(34,35)22-13-5-9-18-11-6-14-28-23(18)22/h1-14,16,21,32H,15H2,(H,29,31,33).
What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 550.07 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 42758232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).