N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

C24H25N3O4S — CID 46424556

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C24H25N3O4S/c1-24(2,3)23-27-20-15-18(9-11-21(20)31-23)26-22(28)12-13-25-32(29,30)19-10-8-16-6-4-5-7-17(16)14-19/h4-11,14-15,25H,12-13H2,1-3H3,(H,26,28)
InChIKeyMMPCNUYGOCEOMU-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.59
Rot. Bonds6

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 46424556) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID46424556
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C24H25N3O4S/c1-24(2,3)23-27-20-15-18(9-11-21(20)31-23)26-22(28)12-13-25-32(29,30)19-10-8-16-6-4-5-7-17(16)14-19/h4-11,14-15,25H,12-13H2,1-3H3,(H,26,28)
InChIKeyMMPCNUYGOCEOMU-UHFFFAOYSA-N
XLogP4.59
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637009
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
1-[2-(benzenesulfonamido)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 146125475

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 46424556) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide is CC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is MMPCNUYGOCEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-24(2,3)23-27-20-15-18(9-11-21(20)31-23)26-22(28)12-13-25-32(29,30)19-10-8-16-6-4-5-7-17(16)14-19/h4-11,14-15,25H,12-13H2,1-3H3,(H,26,28).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 451.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 46424556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).