N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide

C15H22N2O2S — CID 4082368

IUPACN-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NC1CCCCCCC1
InChIInChI=1S/C15H22N2O2S/c18-14(11-16-15(19)13-9-6-10-20-13)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,16,19)(H,17,18)
InChIKeyPEGYQNKLFCQVIY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4082368) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4082368
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NC1CCCCCCC1
InChIInChI=1S/C15H22N2O2S/c18-14(11-16-15(19)13-9-6-10-20-13)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,16,19)(H,17,18)
InChIKeyPEGYQNKLFCQVIY-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 4082368) is N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NC1CCCCCCC1.
What is the InChIKey of N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is PEGYQNKLFCQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-14(11-16-15(19)13-9-6-10-20-13)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4082368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).