N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide

C17H18ClNOS — CID 57258534

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H18ClNOS/c1-12(20)19-16(15-4-2-11-21-15)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11,16H,3,9-10H2,1H3,(H,19,20)
InChIKeyZPXAMLBMDNKBHE-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.70
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide

N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide (PubChem CID 57258534) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
PubChem CID57258534
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H18ClNOS/c1-12(20)19-16(15-4-2-11-21-15)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11,16H,3,9-10H2,1H3,(H,19,20)
InChIKeyZPXAMLBMDNKBHE-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide (CID 57258534) is N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide is CC(=O)NC(c1cccs1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide?
The InChIKey is ZPXAMLBMDNKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12(20)19-16(15-4-2-11-21-15)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11,16H,3,9-10H2,1H3,(H,19,20).
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide?
N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide has a molecular weight of 319.86 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 57258534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).