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

C19H18N4O4S2 — CID 4852933

IUPAC3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-4-6-20-7-5-14)15-2-1-3-16(12-15)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,22,24)
InChIKeyPBZIPINZOIHDRM-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds5

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

3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4852933) 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-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4852933
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-4-6-20-7-5-14)15-2-1-3-16(12-15)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,22,24)
InChIKeyPBZIPINZOIHDRM-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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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 4852933) is 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PBZIPINZOIHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-4-6-20-7-5-14)15-2-1-3-16(12-15)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,22,24).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(4-pyridin-4-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-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4852933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).