N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide

C18H17NO3S2 — CID 90583461

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H17NO3S2/c20-17(12-22-13-5-2-1-3-6-13)19-11-14-8-9-16(24-14)18(21)15-7-4-10-23-15/h1-10,18,21H,11-12H2,(H,19,20)
InChIKeyUNACMNASOWUSCB-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.59
Rot. Bonds7

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 90583461) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
PubChem CID90583461
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H17NO3S2/c20-17(12-22-13-5-2-1-3-6-13)19-11-14-8-9-16(24-14)18(21)15-7-4-10-23-15/h1-10,18,21H,11-12H2,(H,19,20)
InChIKeyUNACMNASOWUSCB-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 90583483
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90583549
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121134172
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583511
2-cyclohexyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583448
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 97106530
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide (CID 90583461) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is UNACMNASOWUSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c20-17(12-22-13-5-2-1-3-6-13)19-11-14-8-9-16(24-14)18(21)15-7-4-10-23-15/h1-10,18,21H,11-12H2,(H,19,20).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 359.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 90583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).