N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide

C14H23ClN2O2S — CID 107204311

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCCCO)CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2O2S/c1-16(8-4-3-5-9-18)11-14(19)17(2)10-12-6-7-13(15)20-12/h6-7,18H,3-5,8-11H2,1-2H3
InChIKeyQZFMEUBHFXFBJF-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.45
Rot. Bonds9

About N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide (PubChem CID 107204311) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
PubChem CID107204311
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCCCO)CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2O2S/c1-16(8-4-3-5-9-18)11-14(19)17(2)10-12-6-7-13(15)20-12/h6-7,18H,3-5,8-11H2,1-2H3
InChIKeyQZFMEUBHFXFBJF-UHFFFAOYSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]butanoate
CID 62013274
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetate
CID 62011016
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylacetamide
CID 62015156
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635709

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide (CID 107204311) is N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide is CN(CCCCCO)CC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The InChIKey is QZFMEUBHFXFBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-16(8-4-3-5-9-18)11-14(19)17(2)10-12-6-7-13(15)20-12/h6-7,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide has a molecular weight of 318.87 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 107204311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).