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

C14H16N4O5S2 — CID 1087792

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H16N4O5S2/c1-22-11-3-2-10(13(19)16-14-17-15-9-24-14)8-12(11)25(20,21)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19)
InChIKeyCWGLULCBFALTHH-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.82
Rot. Bonds5

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

4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1087792) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1087792
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H16N4O5S2/c1-22-11-3-2-10(13(19)16-14-17-15-9-24-14)8-12(11)25(20,21)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19)
InChIKeyCWGLULCBFALTHH-UHFFFAOYSA-N
XLogP0.82
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1087792) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CWGLULCBFALTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c1-22-11-3-2-10(13(19)16-14-17-15-9-24-14)8-12(11)25(20,21)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 384.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1087792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).