4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C15H18N4O5S2 — CID 5160520

IUPAC4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H18N4O5S2/c1-10-17-18-15(25-10)16-14(20)11-3-4-12(23-2)13(9-11)26(21,22)19-5-7-24-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,16,18,20)
InChIKeyMHKFOSHJHKRBKU-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.13
Rot. Bonds5

About 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 5160520) has the molecular formula C15H18N4O5S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID5160520
Molecular FormulaC15H18N4O5S2
Molecular Weight398.47 g/mol
Exact Mass398.07
IUPAC Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H18N4O5S2/c1-10-17-18-15(25-10)16-14(20)11-3-4-12(23-2)13(9-11)26(21,22)19-5-7-24-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,16,18,20)
InChIKeyMHKFOSHJHKRBKU-UHFFFAOYSA-N
XLogP1.13
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4314210
4-Methoxy-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017613
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)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9533680
4-Ethoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 22517511
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24978742
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4853268
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 5160520) is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2nnc(C)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MHKFOSHJHKRBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S2/c1-10-17-18-15(25-10)16-14(20)11-3-4-12(23-2)13(9-11)26(21,22)19-5-7-24-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,16,18,20).
What are the key properties of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5160520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).