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

C14H16N4O4S2 — CID 649841

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H16N4O4S2/c1-10-2-3-11(13(19)16-14-17-15-9-23-14)8-12(10)24(20,21)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19)
InChIKeyQITASFUUUFUYKB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.12
Rot. Bonds4

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

4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 649841) has the molecular formula C14H16N4O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID649841
Molecular FormulaC14H16N4O4S2
Molecular Weight368.44 g/mol
Exact Mass368.06
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H16N4O4S2/c1-10-2-3-11(13(19)16-14-17-15-9-23-14)8-12(10)24(20,21)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19)
InChIKeyQITASFUUUFUYKB-UHFFFAOYSA-N
XLogP1.12
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 649841) is 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QITASFUUUFUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S2/c1-10-2-3-11(13(19)16-14-17-15-9-23-14)8-12(10)24(20,21)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,19).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 649841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).