4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C14H18N4O4S2 — CID 25493057

IUPAC4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1OC
InChIInChI=1S/C14H18N4O4S2/c1-8(2)13-17-18-14(23-13)16-12(19)9-5-6-10(22-4)11(7-9)24(20,21)15-3/h5-8,15H,1-4H3,(H,16,18,19)
InChIKeyMOYIHGCCZLOUPY-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.83
Rot. Bonds6

About 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 25493057) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID25493057
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1OC
InChIInChI=1S/C14H18N4O4S2/c1-8(2)13-17-18-14(23-13)16-12(19)9-5-6-10(22-4)11(7-9)24(20,21)15-3/h5-8,15H,1-4H3,(H,16,18,19)
InChIKeyMOYIHGCCZLOUPY-UHFFFAOYSA-N
XLogP1.83
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55843447
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493625
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 16593022
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 43045932
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
3,4-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide;7-methoxyocta-1,2,3,4,5,7-hexaene
CID 158732967
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 25493057) is 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MOYIHGCCZLOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-8(2)13-17-18-14(23-13)16-12(19)9-5-6-10(22-4)11(7-9)24(20,21)15-3/h5-8,15H,1-4H3,(H,16,18,19).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 370.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 25493057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).