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

C28H27N3O4S2 — CID 5114730

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C28H27N3O4S2/c32-27(15-8-21-6-13-25(14-7-21)37(33,34)31-16-18-35-19-17-31)30-28-29-26(20-36-28)24-11-9-23(10-12-24)22-4-2-1-3-5-22/h1-7,9-14,20H,8,15-19H2,(H,29,30,32)
InChIKeyPAIUEMUNCJIOBW-UHFFFAOYSA-N
MW533.68 g/mol
LogP5.07
Rot. Bonds8

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

3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 5114730) has the molecular formula C28H27N3O4S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID5114730
Molecular FormulaC28H27N3O4S2
Molecular Weight533.68 g/mol
Exact Mass533.14
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C28H27N3O4S2/c32-27(15-8-21-6-13-25(14-7-21)37(33,34)31-16-18-35-19-17-31)30-28-29-26(20-36-28)24-11-9-23(10-12-24)22-4-2-1-3-5-22/h1-7,9-14,20H,8,15-19H2,(H,29,30,32)
InChIKeyPAIUEMUNCJIOBW-UHFFFAOYSA-N
XLogP5.07
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55722672
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 134044739
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 55333561
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5083210
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 155541688
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23762537
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide (CID 5114730) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is PAIUEMUNCJIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S2/c32-27(15-8-21-6-13-25(14-7-21)37(33,34)31-16-18-35-19-17-31)30-28-29-26(20-36-28)24-11-9-23(10-12-24)22-4-2-1-3-5-22/h1-7,9-14,20H,8,15-19H2,(H,29,30,32).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 533.68 g/mol, XLogP of 5.07, 8 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-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 5114730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).