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

C19H26N4O5S2 — CID 4853205

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O5S2/c1-13(2)10-18-21-22-19(29-18)20-17(24)12-14-4-5-15(27-3)16(11-14)30(25,26)23-6-8-28-9-7-23/h4-5,11,13H,6-10,12H2,1-3H3,(H,20,22,24)
InChIKeyMEMQYZVTMYAXGR-UHFFFAOYSA-N
MW454.57 g/mol
LogP1.95
Rot. Bonds8

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

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 4853205) has the molecular formula C19H26N4O5S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID4853205
Molecular FormulaC19H26N4O5S2
Molecular Weight454.57 g/mol
Exact Mass454.13
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O5S2/c1-13(2)10-18-21-22-19(29-18)20-17(24)12-14-4-5-15(27-3)16(11-14)30(25,26)23-6-8-28-9-7-23/h4-5,11,13H,6-10,12H2,1-3H3,(H,20,22,24)
InChIKeyMEMQYZVTMYAXGR-UHFFFAOYSA-N
XLogP1.95
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2101190
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 34464156
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 4853205) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MEMQYZVTMYAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S2/c1-13(2)10-18-21-22-19(29-18)20-17(24)12-14-4-5-15(27-3)16(11-14)30(25,26)23-6-8-28-9-7-23/h4-5,11,13H,6-10,12H2,1-3H3,(H,20,22,24).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 4853205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).