N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C17H21N3O4S2 — CID 2506795

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H21N3O4S2/c1-13-12-25-17(18-13)19-16(21)7-4-14-2-5-15(6-3-14)26(22,23)20-8-10-24-11-9-20/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,21)
InChIKeyMOQVUZAEAQACQG-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.04
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2506795) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2506795
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H21N3O4S2/c1-13-12-25-17(18-13)19-16(21)7-4-14-2-5-15(6-3-14)26(22,23)20-8-10-24-11-9-20/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,21)
InChIKeyMOQVUZAEAQACQG-UHFFFAOYSA-N
XLogP2.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2506795) is N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is MOQVUZAEAQACQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-13-12-25-17(18-13)19-16(21)7-4-14-2-5-15(6-3-14)26(22,23)20-8-10-24-11-9-20/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,21).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2506795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).