N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide

C14H14N2O2S — CID 110639536

IUPACN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3cccs3)cc21
InChIInChI=1S/C14H14N2O2S/c1-16-6-7-18-12-5-4-10(9-11(12)16)15-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,15,17)
InChIKeyURHAIINANIKOGD-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.83
Rot. Bonds2

About N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide (PubChem CID 110639536) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
PubChem CID110639536
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3cccs3)cc21
InChIInChI=1S/C14H14N2O2S/c1-16-6-7-18-12-5-4-10(9-11(12)16)15-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,15,17)
InChIKeyURHAIINANIKOGD-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-thiophen-2-ylacetamide
CID 110639823
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22778473
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide (CID 110639536) is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide is CN1CCOc2ccc(NC(=O)c3cccs3)cc21.
What is the InChIKey of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The InChIKey is URHAIINANIKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16-6-7-18-12-5-4-10(9-11(12)16)15-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,15,17).
What are the key properties of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110639536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).