N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide

C17H20ClNO2S — CID 134061130

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccccc1CCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNO2S/c1-3-21-15-7-5-4-6-13(15)8-11-17(20)19(2)12-14-9-10-16(18)22-14/h4-7,9-10H,3,8,11-12H2,1-2H3
InChIKeyWLISVLQOSMDKCY-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.39
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide (PubChem CID 134061130) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
PubChem CID134061130
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccccc1CCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNO2S/c1-3-21-15-7-5-4-6-13(15)8-11-17(20)19(2)12-14-9-10-16(18)22-14/h4-7,9-10H,3,8,11-12H2,1-2H3
InChIKeyWLISVLQOSMDKCY-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511411
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 37207871
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
CID 55358144
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 51174011
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide (CID 134061130) is N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide is CCOc1ccccc1CCC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide?
The InChIKey is WLISVLQOSMDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-3-21-15-7-5-4-6-13(15)8-11-17(20)19(2)12-14-9-10-16(18)22-14/h4-7,9-10H,3,8,11-12H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide has a molecular weight of 337.87 g/mol, XLogP of 4.39, 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]-3-(2-ethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 134061130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).