N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C25H22ClN3O4S — CID 34058902

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C25H22ClN3O4S/c1-2-29(21-11-7-4-8-12-21)34(31,32)23-15-19(13-14-22(23)26)27-24(30)16-20-17-33-25(28-20)18-9-5-3-6-10-18/h3-15,17H,2,16H2,1H3,(H,27,30)
InChIKeyLQMZBDVLUSPZOM-UHFFFAOYSA-N
MW495.99 g/mol
LogP5.39
Rot. Bonds8

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 34058902) has the molecular formula C25H22ClN3O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID34058902
Molecular FormulaC25H22ClN3O4S
Molecular Weight495.99 g/mol
Exact Mass495.10
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C25H22ClN3O4S/c1-2-29(21-11-7-4-8-12-21)34(31,32)23-15-19(13-14-22(23)26)27-24(30)16-20-17-33-25(28-20)18-9-5-3-6-10-18/h3-15,17H,2,16H2,1H3,(H,27,30)
InChIKeyLQMZBDVLUSPZOM-UHFFFAOYSA-N
XLogP5.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.99
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 34058902) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is LQMZBDVLUSPZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4S/c1-2-29(21-11-7-4-8-12-21)34(31,32)23-15-19(13-14-22(23)26)27-24(30)16-20-17-33-25(28-20)18-9-5-3-6-10-18/h3-15,17H,2,16H2,1H3,(H,27,30).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 495.99 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 34058902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).