N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide

C18H16ClNOS — CID 39735523

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNOS/c1-20(12-16-8-9-17(19)22-16)18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11-12H2,1H3
InChIKeyRSVYLZOHCDMAPV-UHFFFAOYSA-N
MW329.85 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide (PubChem CID 39735523) has the molecular formula C18H16ClNOS and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
PubChem CID39735523
Molecular FormulaC18H16ClNOS
Molecular Weight329.85 g/mol
Exact Mass329.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNOS/c1-20(12-16-8-9-17(19)22-16)18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11-12H2,1H3
InChIKeyRSVYLZOHCDMAPV-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
CID 55225077
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441815
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 39735841
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
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-naphthalen-2-ylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide (CID 39735523) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide is CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide?
The InChIKey is RSVYLZOHCDMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS/c1-20(12-16-8-9-17(19)22-16)18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11-12H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide has a molecular weight of 329.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 39735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).