N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide

C22H19NO2S2 — CID 90583516

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C22H19NO2S2/c24-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-17-10-11-20(27-17)22(25)19-9-4-12-26-19/h1-12,22,25H,13-14H2,(H,23,24)
InChIKeyQTAJAEXIXZYLHT-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.90
Rot. Bonds6

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 90583516) has the molecular formula C22H19NO2S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID90583516
Molecular FormulaC22H19NO2S2
Molecular Weight393.53 g/mol
Exact Mass393.09
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C22H19NO2S2/c24-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-17-10-11-20(27-17)22(25)19-9-4-12-26-19/h1-12,22,25H,13-14H2,(H,23,24)
InChIKeyQTAJAEXIXZYLHT-UHFFFAOYSA-N
XLogP4.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90583549
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
CID 90583461
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583511
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90583565
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
2-cyclohexyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583448
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide (CID 90583516) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is QTAJAEXIXZYLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S2/c24-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-17-10-11-20(27-17)22(25)19-9-4-12-26-19/h1-12,22,25H,13-14H2,(H,23,24).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 393.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 90583516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).