3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide

C19H25NO2S2 — CID 121133745

IUPAC3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C19H25NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h7-8,10-11,13-14,19,22H,1-6,9,12H2,(H,20,21)
InChIKeyIHKVCIUKVRORGA-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.87
Rot. Bonds7

About 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide

3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide (PubChem CID 121133745) has the molecular formula C19H25NO2S2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide
PubChem CID121133745
Molecular FormulaC19H25NO2S2
Molecular Weight363.55 g/mol
Exact Mass363.13
IUPAC Name3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C19H25NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h7-8,10-11,13-14,19,22H,1-6,9,12H2,(H,20,21)
InChIKeyIHKVCIUKVRORGA-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 73167874
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
2-cyclohexyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583448
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133805
N-[2-(dimethylamino)ethyl]-N'-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121134021
1-(2,6-difluorophenyl)-3-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]urea
CID 99882742
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]-N'-(1-phenylethyl)oxamide
CID 121133968
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-methylsulfanylbenzamide
CID 121133764

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide (CID 121133745) is 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide is O=C(CCC1CCCCC1)NCc1ccc(C(O)c2ccsc2)s1.
What is the InChIKey of 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide?
The InChIKey is IHKVCIUKVRORGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h7-8,10-11,13-14,19,22H,1-6,9,12H2,(H,20,21).
What are the key properties of 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide?
3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide has a molecular weight of 363.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 121133745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).