N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C17H20N4O4S2 — CID 42940880

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H20N4O4S2/c22-15(19-17-21-20-16(26-17)11-6-7-11)12-3-1-5-14(9-12)27(23,24)18-10-13-4-2-8-25-13/h1,3,5,9,11,13,18H,2,4,6-8,10H2,(H,19,21,22)
InChIKeyNNPTVUVHEBXQGZ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.13
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 42940880) 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)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID42940880
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H20N4O4S2/c22-15(19-17-21-20-16(26-17)11-6-7-11)12-3-1-5-14(9-12)27(23,24)18-10-13-4-2-8-25-13/h1,3,5,9,11,13,18H,2,4,6-8,10H2,(H,19,21,22)
InChIKeyNNPTVUVHEBXQGZ-UHFFFAOYSA-N
XLogP2.13
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24647505
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfamoyl]benzamide
CID 4626175
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648821
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16572020

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 42940880) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is NNPTVUVHEBXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c22-15(19-17-21-20-16(26-17)11-6-7-11)12-3-1-5-14(9-12)27(23,24)18-10-13-4-2-8-25-13/h1,3,5,9,11,13,18H,2,4,6-8,10H2,(H,19,21,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 408.51 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 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)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 42940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).