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

C18H18N4O4S2 — CID 30580999

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)s1
InChIInChI=1S/C18H18N4O4S2/c1-3-16-20-21-18(27-16)19-17(23)12-8-10-13(11-9-12)28(24,25)22-14-6-4-5-7-15(14)26-2/h4-11,22H,3H2,1-2H3,(H,19,21,23)
InChIKeyIFEVBCCSPJCISS-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.16
Rot. Bonds7

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 30580999) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID30580999
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)s1
InChIInChI=1S/C18H18N4O4S2/c1-3-16-20-21-18(27-16)19-17(23)12-8-10-13(11-9-12)28(24,25)22-14-6-4-5-7-15(14)26-2/h4-11,22H,3H2,1-2H3,(H,19,21,23)
InChIKeyIFEVBCCSPJCISS-UHFFFAOYSA-N
XLogP3.16
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16804484
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 708650
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 30580999) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is IFEVBCCSPJCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-3-16-20-21-18(27-16)19-17(23)12-8-10-13(11-9-12)28(24,25)22-14-6-4-5-7-15(14)26-2/h4-11,22H,3H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30580999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).