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

C17H20N4O4S2 — CID 8503021

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N4O4S2/c1-11-2-3-13(10-14(11)27(23,24)21-6-8-25-9-7-21)15(22)18-17-20-19-16(26-17)12-4-5-12/h2-3,10,12H,4-9H2,1H3,(H,18,20,22)
InChIKeyKKMFXGVVQDGSEZ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.00
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 8503021) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID8503021
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N4O4S2/c1-11-2-3-13(10-14(11)27(23,24)21-6-8-25-9-7-21)15(22)18-17-20-19-16(26-17)12-4-5-12/h2-3,10,12H,4-9H2,1H3,(H,18,20,22)
InChIKeyKKMFXGVVQDGSEZ-UHFFFAOYSA-N
XLogP2.00
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16572020
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2553186
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119604828
3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30279749
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 8919530
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 8503021) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KKMFXGVVQDGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-11-2-3-13(10-14(11)27(23,24)21-6-8-25-9-7-21)15(22)18-17-20-19-16(26-17)12-4-5-12/h2-3,10,12H,4-9H2,1H3,(H,18,20,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 408.51 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8503021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).