2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C28H27N3O5S2 — CID 3947415

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C28H27N3O5S2/c1-20-12-13-23(18-24(20)38(33,34)31-14-16-35-17-15-31)29-25(32)19-37-28-30-26(21-8-4-2-5-9-21)27(36-28)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3,(H,29,32)
InChIKeyKTTRZXXFYKBNHE-UHFFFAOYSA-N
MW549.67 g/mol
LogP5.07
Rot. Bonds8

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3947415) has the molecular formula C28H27N3O5S2 and a molecular weight of 549.67 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3947415
Molecular FormulaC28H27N3O5S2
Molecular Weight549.67 g/mol
Exact Mass549.14
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C28H27N3O5S2/c1-20-12-13-23(18-24(20)38(33,34)31-14-16-35-17-15-31)29-25(32)19-37-28-30-26(21-8-4-2-5-9-21)27(36-28)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3,(H,29,32)
InChIKeyKTTRZXXFYKBNHE-UHFFFAOYSA-N
XLogP5.07
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55518314
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4005742
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518048
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3948996
5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 45468337
N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3894765

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3947415) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is KTTRZXXFYKBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5S2/c1-20-12-13-23(18-24(20)38(33,34)31-14-16-35-17-15-31)29-25(32)19-37-28-30-26(21-8-4-2-5-9-21)27(36-28)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3,(H,29,32).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 549.67 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3947415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).