N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide

C18H21NOS — CID 23341624

IUPACN-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H21NOS/c1-19(18(20)15-10-6-3-7-11-15)17-13-12-16(21-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3
InChIKeyNOVWFVZMRSROID-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.96
Rot. Bonds3

About N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide

N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide (PubChem CID 23341624) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide
PubChem CID23341624
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H21NOS/c1-19(18(20)15-10-6-3-7-11-15)17-13-12-16(21-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3
InChIKeyNOVWFVZMRSROID-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide (CID 23341624) is N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide?
The InChIKey is NOVWFVZMRSROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-19(18(20)15-10-6-3-7-11-15)17-13-12-16(21-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3.
What are the key properties of N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide?
N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide has a molecular weight of 299.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 23341624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).