5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide

C17H20N2O3S — CID 20947629

IUPAC5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C17H20N2O3S/c1-21-11-4-9-18-17(20)15-7-8-16(23-15)19-10-12-22-14-6-3-2-5-13(14)19/h2-3,5-8H,4,9-12H2,1H3,(H,18,20)
InChIKeyLZJUDGVTDBWABM-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.04
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide (PubChem CID 20947629) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
PubChem CID20947629
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C17H20N2O3S/c1-21-11-4-9-18-17(20)15-7-8-16(23-15)19-10-12-22-14-6-3-2-5-13(14)19/h2-3,5-8H,4,9-12H2,1H3,(H,18,20)
InChIKeyLZJUDGVTDBWABM-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947616
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 20947625
N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947617
5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 20940575
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 20947684
N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 53016747
[5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20947651
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 46261141
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide (CID 20947629) is 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide is COCCCNC(=O)c1ccc(N2CCOc3ccccc32)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The InChIKey is LZJUDGVTDBWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-11-4-9-18-17(20)15-7-8-16(23-15)19-10-12-22-14-6-3-2-5-13(14)19/h2-3,5-8H,4,9-12H2,1H3,(H,18,20).
What are the key properties of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 20947629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).