N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide

C19H23NO3S — CID 90583951

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
SMILESCOC(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccsc1
InChIInChI=1S/C19H23NO3S/c1-22-17(15-7-12-24-14-15)13-20-18(21)19(8-10-23-11-9-19)16-5-3-2-4-6-16/h2-7,12,14,17H,8-11,13H2,1H3,(H,20,21)
InChIKeyLMFPKGSVTLIDJL-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.30
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide

N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide (PubChem CID 90583951) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
PubChem CID90583951
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
SMILESCOC(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccsc1
InChIInChI=1S/C19H23NO3S/c1-22-17(15-7-12-24-14-15)13-20-18(21)19(8-10-23-11-9-19)16-5-3-2-4-6-16/h2-7,12,14,17H,8-11,13H2,1H3,(H,20,21)
InChIKeyLMFPKGSVTLIDJL-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-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

1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
CID 106435444
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
CID 126850412

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide (CID 90583951) is N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide is COC(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide?
The InChIKey is LMFPKGSVTLIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-17(15-7-12-24-14-15)13-20-18(21)19(8-10-23-11-9-19)16-5-3-2-4-6-16/h2-7,12,14,17H,8-11,13H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 90583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).