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

C19H18N4O4S2 — CID 4852314

IUPAC3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)15-4-2-6-20-12-15)14-3-1-5-16(11-14)29(25,26)23-7-9-27-10-8-23/h1-6,11-13H,7-10H2,(H,21,22,24)
InChIKeyBSNVSWGJKXEQJW-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds5

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

3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4852314) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4852314
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)15-4-2-6-20-12-15)14-3-1-5-16(11-14)29(25,26)23-7-9-27-10-8-23/h1-6,11-13H,7-10H2,(H,21,22,24)
InChIKeyBSNVSWGJKXEQJW-UHFFFAOYSA-N
XLogP2.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16832294
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
N-[(2R)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 94003862
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
N-[(2R)-1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2562086
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2332761

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 4852314) is 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BSNVSWGJKXEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)15-4-2-6-20-12-15)14-3-1-5-16(11-14)29(25,26)23-7-9-27-10-8-23/h1-6,11-13H,7-10H2,(H,21,22,24).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4852314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).