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

C18H16N2O2S2 — CID 20947625

IUPAC5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C18H16N2O2S2/c21-18(19-12-13-4-3-11-23-13)16-7-8-17(24-16)20-9-10-22-15-6-2-1-5-14(15)20/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyCUNIFQLIRAQBMG-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.27
Rot. Bonds4

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

5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 20947625) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID20947625
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCOc3ccccc32)s1
InChIInChI=1S/C18H16N2O2S2/c21-18(19-12-13-4-3-11-23-13)16-7-8-17(24-16)20-9-10-22-15-6-2-1-5-14(15)20/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyCUNIFQLIRAQBMG-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophen-2-ylethanone
CID 43062773
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598
[5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20947651
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238829
2-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91837409
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 20947625) is 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccs1)c1ccc(N2CCOc3ccccc32)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is CUNIFQLIRAQBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-18(19-12-13-4-3-11-23-13)16-7-8-17(24-16)20-9-10-22-15-6-2-1-5-14(15)20/h1-8,11H,9-10,12H2,(H,19,21).
What are the key properties of 5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.27, 4 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-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 20947625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).