N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide

C15H18N4O5S2 — CID 43853455

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)s1
InChIInChI=1S/C15H18N4O5S2/c1-2-13-17-18-15(25-13)16-14(21)11-9-10(3-4-12(11)20)26(22,23)19-5-7-24-8-6-19/h3-4,9,20H,2,5-8H2,1H3,(H,16,18,21)
InChIKeyZDDAEBPAROINRD-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.08
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43853455) has the molecular formula C15H18N4O5S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43853455
Molecular FormulaC15H18N4O5S2
Molecular Weight398.47 g/mol
Exact Mass398.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)s1
InChIInChI=1S/C15H18N4O5S2/c1-2-13-17-18-15(25-13)16-14(21)11-9-10(3-4-12(11)20)26(22,23)19-5-7-24-8-6-19/h3-4,9,20H,2,5-8H2,1H3,(H,16,18,21)
InChIKeyZDDAEBPAROINRD-UHFFFAOYSA-N
XLogP1.08
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 16831933
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853441
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2101190
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide
CID 162747414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7718644
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide (CID 43853455) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZDDAEBPAROINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S2/c1-2-13-17-18-15(25-13)16-14(21)11-9-10(3-4-12(11)20)26(22,23)19-5-7-24-8-6-19/h3-4,9,20H,2,5-8H2,1H3,(H,16,18,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43853455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).