5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide

C16H15ClN2O2S — CID 20947670

IUPAC5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1
InChIInChI=1S/C16H15ClN2O2S/c17-10-1-4-13-12(9-10)19(7-8-21-13)15-6-5-14(22-15)16(20)18-11-2-3-11/h1,4-6,9,11H,2-3,7-8H2,(H,18,20)
InChIKeyRUFSVMVKWPMGNR-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.82
Rot. Bonds3

About 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide

5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 20947670) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID20947670
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1
InChIInChI=1S/C16H15ClN2O2S/c17-10-1-4-13-12(9-10)19(7-8-21-13)15-6-5-14(22-15)16(20)18-11-2-3-11/h1,4-6,9,11H,2-3,7-8H2,(H,18,20)
InChIKeyRUFSVMVKWPMGNR-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide (CID 20947670) is 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide is O=C(NC1CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1.
What is the InChIKey of 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is RUFSVMVKWPMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-10-1-4-13-12(9-10)19(7-8-21-13)15-6-5-14(22-15)16(20)18-11-2-3-11/h1,4-6,9,11H,2-3,7-8H2,(H,18,20).
What are the key properties of 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide?
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 20947670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).