(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide

C23H23N5O3S2 — CID 93100762

IUPAC(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide
SMILESCC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C23H23N5O3S2/c1-3-15(2)19(21(29)25-23-27-26-22(32-23)17-9-5-4-6-10-17)28-33(30,31)18-13-7-11-16-12-8-14-24-20(16)18/h4-15,19,28H,3H2,1-2H3,(H,25,27,29)/t15-,19+/m1/s1
InChIKeyDCKGHEYSFRSIJM-BEFAXECRSA-N
MW481.60 g/mol
LogP4.09
Rot. Bonds8

About (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide

(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide (PubChem CID 93100762) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide
PubChem CID93100762
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide
SMILESCC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C23H23N5O3S2/c1-3-15(2)19(21(29)25-23-27-26-22(32-23)17-9-5-4-6-10-17)28-33(30,31)18-13-7-11-16-12-8-14-24-20(16)18/h4-15,19,28H,3H2,1-2H3,(H,25,27,29)/t15-,19+/m1/s1
InChIKeyDCKGHEYSFRSIJM-BEFAXECRSA-N
XLogP4.09
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 5200620
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
N-(2-ethoxyphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
CID 20950551
2-[(4-tert-butylphenyl)sulfonylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 5243301
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S,3S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 93100855
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 4564914
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 42770101
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]cyclopropanecarboxamide
CID 7412359

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide?
The IUPAC name of (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide (CID 93100762) is (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide.
What is the SMILES notation for (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide?
The canonical SMILES for (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide is CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide?
The InChIKey is DCKGHEYSFRSIJM-BEFAXECRSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-3-15(2)19(21(29)25-23-27-26-22(32-23)17-9-5-4-6-10-17)28-33(30,31)18-13-7-11-16-12-8-14-24-20(16)18/h4-15,19,28H,3H2,1-2H3,(H,25,27,29)/t15-,19+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide?
(2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide has a molecular weight of 481.60 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)pentanamide is sourced from PubChem (CID 93100762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).