N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide

C14H17N3O4S2 — CID 89236259

IUPACN-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)S(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-13(18)15-8-4-10-17(2)23(19,20)14-6-5-12(22-14)11-7-9-16-21-11/h3,5-7,9H,1,4,8,10H2,2H3,(H,15,18)
InChIKeyHHQJCMDWKADVFD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.72
Rot. Bonds8

About N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide

N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide (PubChem CID 89236259) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide
PubChem CID89236259
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)S(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-13(18)15-8-4-10-17(2)23(19,20)14-6-5-12(22-14)11-7-9-16-21-11/h3,5-7,9H,1,4,8,10H2,2H3,(H,15,18)
InChIKeyHHQJCMDWKADVFD-UHFFFAOYSA-N
XLogP1.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide (CID 89236259) is N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C)S(=O)(=O)c1ccc(-c2ccno2)s1.
What is the InChIKey of N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide?
The InChIKey is HHQJCMDWKADVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-3-13(18)15-8-4-10-17(2)23(19,20)14-6-5-12(22-14)11-7-9-16-21-11/h3,5-7,9H,1,4,8,10H2,2H3,(H,15,18).
What are the key properties of N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide?
N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide has a molecular weight of 355.44 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide is sourced from PubChem (CID 89236259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).