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

C19H24N4O4S2 — CID 16572020

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O4S2/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22,24)
InChIKeyPQTNMMSEXXPIGA-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.86
Rot. Bonds5

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 16572020) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID16572020
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O4S2/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22,24)
InChIKeyPQTNMMSEXXPIGA-UHFFFAOYSA-N
XLogP2.86
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8503021
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2101190
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 23821912
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2382444
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42940880
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 55695716
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2130717
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24647505
3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7999194
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2332761

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 16572020) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PQTNMMSEXXPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22,24).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16572020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).