4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C16H20N4O4S2 — CID 4588141

IUPAC4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N4O4S2/c1-11(2)15-18-19-16(25-15)17-14(21)12-3-5-13(6-4-12)26(22,23)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19,21)
InChIKeyYFZKNVQKWGRMQZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.93
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4588141) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4588141
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Name4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N4O4S2/c1-11(2)15-18-19-16(25-15)17-14(21)12-3-5-13(6-4-12)26(22,23)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19,21)
InChIKeyYFZKNVQKWGRMQZ-UHFFFAOYSA-N
XLogP1.93
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2125285
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3491426
4-Cyclohexylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 646755
4-(4-Benzyl-piperazine-1-sulfonyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650132
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
N-[5-(2-Morpholin-4-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1397993
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
CID 2051169
N-(5-(methoxymethyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2057839
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2155612

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 4588141) is 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YFZKNVQKWGRMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-11(2)15-18-19-16(25-15)17-14(21)12-3-5-13(6-4-12)26(22,23)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19,21).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4588141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).