N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide

C20H22N2O3S — CID 43060812

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCN(C)C(CNC(=O)c1occc1COc1ccccc1)c1ccsc1
InChIInChI=1S/C20H22N2O3S/c1-22(2)18(16-9-11-26-14-16)12-21-20(23)19-15(8-10-24-19)13-25-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyZZMHFWFDXPOREC-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.95
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 43060812) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID43060812
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCN(C)C(CNC(=O)c1occc1COc1ccccc1)c1ccsc1
InChIInChI=1S/C20H22N2O3S/c1-22(2)18(16-9-11-26-14-16)12-21-20(23)19-15(8-10-24-19)13-25-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyZZMHFWFDXPOREC-UHFFFAOYSA-N
XLogP3.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-phenoxy-2-phenylacetamide
CID 55761482
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 43060812) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide is CN(C)C(CNC(=O)c1occc1COc1ccccc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is ZZMHFWFDXPOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-22(2)18(16-9-11-26-14-16)12-21-20(23)19-15(8-10-24-19)13-25-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 43060812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).