N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide

C15H16ClNO2S — CID 78791448

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-3-5-12(6-4-11)19-10-15(18)17(2)9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3
InChIKeyHCMKCTGUCFUAMK-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.75
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide (PubChem CID 78791448) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
PubChem CID78791448
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-3-5-12(6-4-11)19-10-15(18)17(2)9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3
InChIKeyHCMKCTGUCFUAMK-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(4-cyanophenyl)phenoxy]-N-methylacetamide
CID 8005575
N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828001
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 51174011
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetate
CID 62011016
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
CID 55358144
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
CID 78792180
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 55252348
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 55357935
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide (CID 78791448) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide?
The InChIKey is HCMKCTGUCFUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-3-5-12(6-4-11)19-10-15(18)17(2)9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide has a molecular weight of 309.82 g/mol, XLogP of 3.75, 5 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-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 78791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).