4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C20H19N3O4S2 — CID 1106094

IUPAC4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O4S2/c24-19(22-20-21-18(14-28-20)15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)
InChIKeyAHFJTITWRQMIEK-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.08
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1106094) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1106094
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Name4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O4S2/c24-19(22-20-21-18(14-28-20)15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)
InChIKeyAHFJTITWRQMIEK-UHFFFAOYSA-N
XLogP3.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-thiophenecarboxamide
CID 1161245
2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 1236908
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 1811788
4-(pyrrolidin-1-ylsulfonyl)-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 2327228
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
4-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158223
4-Methyl-3-(morpholine-4-sulfonyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4853613

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1106094) is 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AHFJTITWRQMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c24-19(22-20-21-18(14-28-20)15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1106094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).