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

C19H26N4O4S2 — CID 46581642

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C19H26N4O4S2/c1-3-5-6-17-21-22-19(28-17)20-18(24)15-8-7-14(4-2)16(13-15)29(25,26)23-9-11-27-12-10-23/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,22,24)
InChIKeyOJBYJFOODWXWAX-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.72
Rot. Bonds8

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46581642) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46581642
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C19H26N4O4S2/c1-3-5-6-17-21-22-19(28-17)20-18(24)15-8-7-14(4-2)16(13-15)29(25,26)23-9-11-27-12-10-23/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,22,24)
InChIKeyOJBYJFOODWXWAX-UHFFFAOYSA-N
XLogP2.72
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838242
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 30838001
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838075
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 46581642) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCCCc1nnc(NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OJBYJFOODWXWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-3-5-6-17-21-22-19(28-17)20-18(24)15-8-7-14(4-2)16(13-15)29(25,26)23-9-11-27-12-10-23/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,22,24).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 438.58 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46581642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).