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

C21H27N5O4S2 — CID 2123938

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H27N5O4S2/c27-19(22-21-24-23-20(31-21)15-4-5-15)17-14-16(32(28,29)26-8-2-1-3-9-26)6-7-18(17)25-10-12-30-13-11-25/h6-7,14-15H,1-5,8-13H2,(H,22,24,27)
InChIKeyFIFXOMOYAVRPKT-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.68
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2123938) has the molecular formula C21H27N5O4S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2123938
Molecular FormulaC21H27N5O4S2
Molecular Weight477.61 g/mol
Exact Mass477.15
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H27N5O4S2/c27-19(22-21-24-23-20(31-21)15-4-5-15)17-14-16(32(28,29)26-8-2-1-3-9-26)6-7-18(17)25-10-12-30-13-11-25/h6-7,14-15H,1-5,8-13H2,(H,22,24,27)
InChIKeyFIFXOMOYAVRPKT-UHFFFAOYSA-N
XLogP2.68
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (CID 2123938) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nnc(C2CC2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FIFXOMOYAVRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S2/c27-19(22-21-24-23-20(31-21)15-4-5-15)17-14-16(32(28,29)26-8-2-1-3-9-26)6-7-18(17)25-10-12-30-13-11-25/h6-7,14-15H,1-5,8-13H2,(H,22,24,27).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 477.61 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2123938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).