N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H18ClN3O5S — CID 30684834

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O5S/c23-17-8-1-2-9-18(17)25-32(29,30)16-7-5-6-15(14-16)24-21(27)12-13-26-19-10-3-4-11-20(19)31-22(26)28/h1-11,14,25H,12-13H2,(H,24,27)
InChIKeyQRVFJYDVOAMJFE-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 30684834) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID30684834
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O5S/c23-17-8-1-2-9-18(17)25-32(29,30)16-7-5-6-15(14-16)24-21(27)12-13-26-19-10-3-4-11-20(19)31-22(26)28/h1-11,14,25H,12-13H2,(H,24,27)
InChIKeyQRVFJYDVOAMJFE-UHFFFAOYSA-N
XLogP4.08
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
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CID 7580962
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55947553
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 30684834) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is QRVFJYDVOAMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c23-17-8-1-2-9-18(17)25-32(29,30)16-7-5-6-15(14-16)24-21(27)12-13-26-19-10-3-4-11-20(19)31-22(26)28/h1-11,14,25H,12-13H2,(H,24,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 471.92 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 30684834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).