(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide

C14H17N3O2S2 — CID 94668314

IUPAC(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(Sc2nncs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-3-12(19-4-2)13(18)16-10-5-7-11(8-6-10)21-14-17-15-9-20-14/h5-9,12H,3-4H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyQBIJHFNVWMAXFZ-GFCCVEGCSA-N
MW323.44 g/mol
LogP3.44
Rot. Bonds7

About (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide

(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide (PubChem CID 94668314) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide
PubChem CID94668314
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(Sc2nncs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-3-12(19-4-2)13(18)16-10-5-7-11(8-6-10)21-14-17-15-9-20-14/h5-9,12H,3-4H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyQBIJHFNVWMAXFZ-GFCCVEGCSA-N
XLogP3.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 94210728
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 60549520
4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
CID 119757450
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
CID 47072533
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 60549610
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119308416
(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide
CID 120790530
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
CID 17442157

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide (CID 94668314) is (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide is CCO[C@H](CC)C(=O)Nc1ccc(Sc2nncs2)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide?
The InChIKey is QBIJHFNVWMAXFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-3-12(19-4-2)13(18)16-10-5-7-11(8-6-10)21-14-17-15-9-20-14/h5-9,12H,3-4H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide?
(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide has a molecular weight of 323.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 94668314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).