2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H18N2O3S — CID 3225034

IUPAC2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)C(C)O2
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-15-14(8-11)19(17(21)12(2)22-15)10-16(20)18-9-13-4-3-7-23-13/h3-8,12H,9-10H2,1-2H3,(H,18,20)
InChIKeyQWPWONQYZXXYPL-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.49
Rot. Bonds4

About 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3225034) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3225034
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)C(C)O2
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-15-14(8-11)19(17(21)12(2)22-15)10-16(20)18-9-13-4-3-7-23-13/h3-8,12H,9-10H2,1-2H3,(H,18,20)
InChIKeyQWPWONQYZXXYPL-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
N-(2-Methoxy-5-methyl-phenyl)-2-(6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 1455749
2-(6-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155030
2,6-Dimethyl-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3225019
2-(2,6-Dimethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(4-methoxy-phenyl)-acetamide
CID 3225026
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 655269
Thiophene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9999428
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-thiophen-3-yl-acetamide
CID 10247900

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 3225034) is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)C(C)O2.
What is the InChIKey of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QWPWONQYZXXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-5-6-15-14(8-11)19(17(21)12(2)22-15)10-16(20)18-9-13-4-3-7-23-13/h3-8,12H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3225034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).