N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide

C13H16N4O4S3 — CID 100668497

IUPACN-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1OC
InChIInChI=1S/C13H16N4O4S3/c1-4-14-11(18)9-7-8(5-6-10(9)21-2)24(19,20)17-12-15-16-13(22-3)23-12/h5-7H,4H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyAGYGBMFAMGPCBD-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.82
Rot. Bonds7

About N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide

N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide (PubChem CID 100668497) has the molecular formula C13H16N4O4S3 and a molecular weight of 388.50 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
PubChem CID100668497
Molecular FormulaC13H16N4O4S3
Molecular Weight388.50 g/mol
Exact Mass388.03
IUPAC NameN-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1OC
InChIInChI=1S/C13H16N4O4S3/c1-4-14-11(18)9-7-8(5-6-10(9)21-2)24(19,20)17-12-15-16-13(22-3)23-12/h5-7H,4H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyAGYGBMFAMGPCBD-UHFFFAOYSA-N
XLogP1.82
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 100551610
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 19109341
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 66905609
N-ethyl-2-methoxy-5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]benzamide
CID 94019786
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 92685464
5-[(4-chlorophenyl)sulfamoyl]-2-methoxy-N-propylbenzamide
CID 27262052
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
methyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2-chlorobenzoate
CID 100724890
4-methoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 100759072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide (CID 100668497) is N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide is CCNC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide?
The InChIKey is AGYGBMFAMGPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S3/c1-4-14-11(18)9-7-8(5-6-10(9)21-2)24(19,20)17-12-15-16-13(22-3)23-12/h5-7H,4H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide?
N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide has a molecular weight of 388.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 100668497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).