N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide

C13H20ClNO2S — CID 86985635

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H20ClNO2S/c1-10(2)9-17-7-6-13(16)15(3)8-11-4-5-12(14)18-11/h4-5,10H,6-9H2,1-3H3
InChIKeyJZCKQKVMCSTOBL-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.42
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide (PubChem CID 86985635) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
PubChem CID86985635
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H20ClNO2S/c1-10(2)9-17-7-6-13(16)15(3)8-11-4-5-12(14)18-11/h4-5,10H,6-9H2,1-3H3
InChIKeyJZCKQKVMCSTOBL-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
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
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide (CID 86985635) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide?
The InChIKey is JZCKQKVMCSTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-10(2)9-17-7-6-13(16)15(3)8-11-4-5-12(14)18-11/h4-5,10H,6-9H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide has a molecular weight of 289.83 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 86985635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).