2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide

C18H16ClNO2S2 — CID 121133766

IUPAC2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H16ClNO2S2/c19-15-4-2-1-3-12(15)9-17(21)20-10-14-5-6-16(24-14)18(22)13-7-8-23-11-13/h1-8,11,18,22H,9-10H2,(H,20,21)
InChIKeyOSXMOUDPUIPUMH-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide

2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 121133766) has the molecular formula C18H16ClNO2S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID121133766
Molecular FormulaC18H16ClNO2S2
Molecular Weight377.92 g/mol
Exact Mass377.03
IUPAC Name2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H16ClNO2S2/c19-15-4-2-1-3-12(15)9-17(21)20-10-14-5-6-16(24-14)18(22)13-7-8-23-11-13/h1-8,11,18,22H,9-10H2,(H,20,21)
InChIKeyOSXMOUDPUIPUMH-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670
N'-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 121133990
2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 73167871
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-methylsulfanylbenzamide
CID 121133764
2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133805
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide
CID 121133745
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
N-[2-(dimethylamino)ethyl]-N'-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121134021
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 73167874

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (CID 121133766) is 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is O=C(Cc1ccccc1Cl)NCc1ccc(C(O)c2ccsc2)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is OSXMOUDPUIPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S2/c19-15-4-2-1-3-12(15)9-17(21)20-10-14-5-6-16(24-14)18(22)13-7-8-23-11-13/h1-8,11,18,22H,9-10H2,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 377.92 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 121133766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).