2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide

C13H15N3O4S — CID 61367431

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc2nc(S(=O)(=O)CC(=O)NCC3CC3)oc2c1
InChIInChI=1S/C13H15N3O4S/c14-9-3-4-10-11(5-9)20-13(16-10)21(18,19)7-12(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,17)
InChIKeyVFOPCHHGFRJDAW-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.71
Rot. Bonds5

About 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide (PubChem CID 61367431) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
PubChem CID61367431
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc2nc(S(=O)(=O)CC(=O)NCC3CC3)oc2c1
InChIInChI=1S/C13H15N3O4S/c14-9-3-4-10-11(5-9)20-13(16-10)21(18,19)7-12(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,17)
InChIKeyVFOPCHHGFRJDAW-UHFFFAOYSA-N
XLogP0.71
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide (CID 61367431) is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide is Nc1ccc2nc(S(=O)(=O)CC(=O)NCC3CC3)oc2c1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is VFOPCHHGFRJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-9-3-4-10-11(5-9)20-13(16-10)21(18,19)7-12(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,17).
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 61367431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).