2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide

C21H22ClN3O4S — CID 56569965

IUPAC2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)on2)cc1
InChIInChI=1S/C21H22ClN3O4S/c1-4-14-5-7-15(8-6-14)19-12-20(29-24-19)23-21(26)17-11-16(9-10-18(17)22)30(27,28)25-13(2)3/h5-13,25H,4H2,1-3H3,(H,23,26)
InChIKeyLEZNWPOGYIFYMI-UHFFFAOYSA-N
MW447.94 g/mol
LogP4.50
Rot. Bonds7

About 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 56569965) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID56569965
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)on2)cc1
InChIInChI=1S/C21H22ClN3O4S/c1-4-14-5-7-15(8-6-14)19-12-20(29-24-19)23-21(26)17-11-16(9-10-18(17)22)30(27,28)25-13(2)3/h5-13,25H,4H2,1-3H3,(H,23,26)
InChIKeyLEZNWPOGYIFYMI-UHFFFAOYSA-N
XLogP4.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46532724
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24649213
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 56529969
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide (CID 56569965) is 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide is CCc1ccc(-c2cc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)on2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LEZNWPOGYIFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-4-14-5-7-15(8-6-14)19-12-20(29-24-19)23-21(26)17-11-16(9-10-18(17)22)30(27,28)25-13(2)3/h5-13,25H,4H2,1-3H3,(H,23,26).
What are the key properties of 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 447.94 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 56569965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).