1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

C17H18ClNOS — CID 71451421

IUPAC1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H18ClNOS/c1-19(12-15-4-2-11-21-15)16(20)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11H,3,9-10,12H2,1H3
InChIKeyZIIHWQIIOIDUFI-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.48
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 71451421) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID71451421
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H18ClNOS/c1-19(12-15-4-2-11-21-15)16(20)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11H,3,9-10,12H2,1H3
InChIKeyZIIHWQIIOIDUFI-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (CID 71451421) is 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1cccs1)C(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is ZIIHWQIIOIDUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-19(12-15-4-2-11-21-15)16(20)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11H,3,9-10,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 319.86 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71451421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).