2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

C13H17N3O4S — CID 61367241

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H17N3O4S/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3
InChIKeyUDPBXLHRORKPKL-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.05
Rot. Bonds4

About 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 61367241) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID61367241
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H17N3O4S/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3
InChIKeyUDPBXLHRORKPKL-UHFFFAOYSA-N
XLogP1.05
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
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-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (CID 61367241) is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is UDPBXLHRORKPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 311.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).