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

C21H21N3O5S2 — CID 658973

IUPACN-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C21H21N3O5S2/c25-20(14-29-17-4-2-1-3-5-17)23-21-22-19(15-30-21)16-6-8-18(9-7-16)31(26,27)24-10-12-28-13-11-24/h1-9,15H,10-14H2,(H,22,23,25)
InChIKeyINGPTEYTSABOBL-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.85
Rot. Bonds7

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

N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 658973) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
PubChem CID658973
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C21H21N3O5S2/c25-20(14-29-17-4-2-1-3-5-17)23-21-22-19(15-30-21)16-6-8-18(9-7-16)31(26,27)24-10-12-28-13-11-24/h1-9,15H,10-14H2,(H,22,23,25)
InChIKeyINGPTEYTSABOBL-UHFFFAOYSA-N
XLogP2.85
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide with MolForge

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Related Compounds

ML277
CID 53347902
4-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 980159
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
GlyTouCan:G57989HO
CID 2947587
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
2-(4-ethylsulfonylphenyl)-N-(5-phenoxy-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 60142605
2-(4-ethylsulfonylphenyl)-N-[5-(4-methoxyphenoxy)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 60142867
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 658973) is N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is INGPTEYTSABOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c25-20(14-29-17-4-2-1-3-5-17)23-21-22-19(15-30-21)16-6-8-18(9-7-16)31(26,27)24-10-12-28-13-11-24/h1-9,15H,10-14H2,(H,22,23,25).
What are the key properties of N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 459.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 658973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).