N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C17H22N4O5S2 — CID 4853268

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C17H22N4O5S2/c1-3-16-19-20-17(27-16)18-15(22)11-12-4-5-13(25-2)14(10-12)28(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20,22)
InChIKeyTUSPAGQRVFVHCO-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.31
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4853268) has the molecular formula C17H22N4O5S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4853268
Molecular FormulaC17H22N4O5S2
Molecular Weight426.52 g/mol
Exact Mass426.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C17H22N4O5S2/c1-3-16-19-20-17(27-16)18-15(22)11-12-4-5-13(25-2)14(10-12)28(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20,22)
InChIKeyTUSPAGQRVFVHCO-UHFFFAOYSA-N
XLogP1.31
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4314210
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 5160520
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4853205
4-Methoxy-3-(morpholine-4-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1087792
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 2125828
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214739
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9533680
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24978742
1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid (5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 656238
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24402500
4-methoxy-3-(4-morpholinylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1107089
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16549515

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4853268) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is CCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is TUSPAGQRVFVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S2/c1-3-16-19-20-17(27-16)18-15(22)11-12-4-5-13(25-2)14(10-12)28(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4853268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).