N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide

C17H16N2O2S — CID 112981805

IUPACN-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C17H16N2O2S/c20-17(11-16-4-2-10-22-16)19-14-7-5-13(6-8-14)18-12-15-3-1-9-21-15/h1-10,18H,11-12H2,(H,19,20)
InChIKeyOPECNZRWBVNNCG-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide

N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112981805) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
PubChem CID112981805
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C17H16N2O2S/c20-17(11-16-4-2-10-22-16)19-14-7-5-13(6-8-14)18-12-15-3-1-9-21-15/h1-10,18H,11-12H2,(H,19,20)
InChIKeyOPECNZRWBVNNCG-UHFFFAOYSA-N
XLogP4.13
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113026265
2-(2-bromophenyl)-N-[4-(furan-2-ylmethylamino)phenyl]acetamide
CID 112981838
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
CID 112981528
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide (CID 112981805) is N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OPECNZRWBVNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-17(11-16-4-2-10-22-16)19-14-7-5-13(6-8-14)18-12-15-3-1-9-21-15/h1-10,18H,11-12H2,(H,19,20).
What are the key properties of N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 312.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112981805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).