(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide

C20H20N4O3S — CID 7288486

IUPAC(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)Cc3ccccc3)s2)c1
InChIInChI=1S/C20H20N4O3S/c1-13(21-17(25)11-14-7-4-3-5-8-14)18(26)22-20-24-23-19(28-20)15-9-6-10-16(12-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,24,26)/t13-/m1/s1
InChIKeyQVKVOXVMOOTSCB-CYBMUJFWSA-N
MW396.47 g/mol
LogP2.90
Rot. Bonds7

About (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide

(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 7288486) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
PubChem CID7288486
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)Cc3ccccc3)s2)c1
InChIInChI=1S/C20H20N4O3S/c1-13(21-17(25)11-14-7-4-3-5-8-14)18(26)22-20-24-23-19(28-20)15-9-6-10-16(12-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,24,26)/t13-/m1/s1
InChIKeyQVKVOXVMOOTSCB-CYBMUJFWSA-N
XLogP2.90
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-methylbutanamide
CID 7412372
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide
CID 7365277
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
2-[(2,2-diphenylacetyl)amino]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 42662234
(2R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7414353
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenylmethoxyacetyl)amino]pentanamide
CID 3953615
(3R)-N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3,5,5-trimethylhexanamide
CID 93100232
N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide
CID 42662236
N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]heptanamide
CID 93100254
(2R)-2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 93100236
(2S,3R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 812182

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide (CID 7288486) is (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide is COc1cccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)Cc3ccccc3)s2)c1.
What is the InChIKey of (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is QVKVOXVMOOTSCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13(21-17(25)11-14-7-4-3-5-8-14)18(26)22-20-24-23-19(28-20)15-9-6-10-16(12-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,24,26)/t13-/m1/s1.
What are the key properties of (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 396.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 7288486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).