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

C20H18N2O4S — CID 8832706

IUPACN-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H18N2O4S/c23-19(13-22-17-7-1-2-8-18(17)26-14-20(22)24)21(11-15-5-3-9-25-15)12-16-6-4-10-27-16/h1-10H,11-14H2
InChIKeyVUKLFAMDEACTJT-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.30
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8832706) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8832706
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H18N2O4S/c23-19(13-22-17-7-1-2-8-18(17)26-14-20(22)24)21(11-15-5-3-9-25-15)12-16-6-4-10-27-16/h1-10H,11-14H2
InChIKeyVUKLFAMDEACTJT-UHFFFAOYSA-N
XLogP3.30
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide 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

3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 31836776
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 17403868
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 43022686
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 8832706) is N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)COc2ccccc21)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VUKLFAMDEACTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-19(13-22-17-7-1-2-8-18(17)26-14-20(22)24)21(11-15-5-3-9-25-15)12-16-6-4-10-27-16/h1-10H,11-14H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8832706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).