N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

C17H16ClN3O5S — CID 126458383

IUPACN-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H16ClN3O5S/c1-21-14-6-5-13(10-15(14)26-17(21)23)27(24,25)19-8-7-16(22)20-12-4-2-3-11(18)9-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyYNCGNHDIJDWFFE-UHFFFAOYSA-N
MW409.85 g/mol
LogP2.09
Rot. Bonds6

About N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (PubChem CID 126458383) has the molecular formula C17H16ClN3O5S and a molecular weight of 409.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
PubChem CID126458383
Molecular FormulaC17H16ClN3O5S
Molecular Weight409.85 g/mol
Exact Mass409.05
IUPAC NameN-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H16ClN3O5S/c1-21-14-6-5-13(10-15(14)26-17(21)23)27(24,25)19-8-7-16(22)20-12-4-2-3-11(18)9-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyYNCGNHDIJDWFFE-UHFFFAOYSA-N
XLogP2.09
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
N-(3-chloro-4-methylphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927565
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
N-[4-(4-chlorophenyl)butyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357510
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242215
3-methyl-2-oxo-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide
CID 3241000

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (CID 126458383) is N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The InChIKey is YNCGNHDIJDWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5S/c1-21-14-6-5-13(10-15(14)26-17(21)23)27(24,25)19-8-7-16(22)20-12-4-2-3-11(18)9-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide has a molecular weight of 409.85 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 126458383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).