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

C18H20N2O2S — CID 20947617

IUPACN-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C18H20N2O2S/c21-18(19-13-5-1-2-6-13)16-9-10-17(23-16)20-11-12-22-15-8-4-3-7-14(15)20/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,19,21)
InChIKeyJZSCFTHQWTWJRF-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.95
Rot. Bonds3

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

N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide (PubChem CID 20947617) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
PubChem CID20947617
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C18H20N2O2S/c21-18(19-13-5-1-2-6-13)16-9-10-17(23-16)20-11-12-22-15-8-4-3-7-14(15)20/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,19,21)
InChIKeyJZSCFTHQWTWJRF-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 20947629
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947616
5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 20940573
N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
CID 20940648
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 20947684
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
N-cyclopentyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carbothioamide
CID 116509884
N-(1-benzylpiperidin-4-yl)-5-(2,3-dihydro-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
CID 20944317
[5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20947651
5-amino-6-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,1-dioxothietan-3-yl)pyridine-3-carboxamide
CID 176510281
N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 46261141
N-cycloheptyl-5-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide
CID 20940382

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide (CID 20947617) is N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide is O=C(NC1CCCC1)c1ccc(N2CCOc3ccccc32)s1.
What is the InChIKey of N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide?
The InChIKey is JZSCFTHQWTWJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(19-13-5-1-2-6-13)16-9-10-17(23-16)20-11-12-22-15-8-4-3-7-14(15)20/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,19,21).
What are the key properties of N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide?
N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20947617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).