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

C16H19N3O4S2 — CID 2475600

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1
InChIInChI=1S/C16H19N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-2,4-5,7,12H,3,6,8-11H2,(H,17,18,20)
InChIKeyVWFIMMKIBBPCGP-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.74
Rot. Bonds6

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

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2475600) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2475600
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1
InChIInChI=1S/C16H19N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-2,4-5,7,12H,3,6,8-11H2,(H,17,18,20)
InChIKeyVWFIMMKIBBPCGP-UHFFFAOYSA-N
XLogP1.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 1811788
N-(thiazol-2-yl)-1-tosylpyrrolidine-2-carboxamide
CID 3739028
3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 9799942
(R)-2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)-N-(thiazol-2-yl)propanamide
CID 10250045
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714
(E)-3-cyclohexyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10293790
LY-2121260
CID 10341191
2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)-N-(thiazol-2-yl)acrylamide
CID 10385853
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 10478302
Psn-GK1
CID 11743862

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 2475600) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VWFIMMKIBBPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-2,4-5,7,12H,3,6,8-11H2,(H,17,18,20).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2475600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).