N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide

C17H28N2OS — CID 119642271

IUPACN-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H28N2OS/c1-3-16(18,4-2)13-19-15(20)17(10-6-5-7-11-17)14-9-8-12-21-14/h8-9,12H,3-7,10-11,13,18H2,1-2H3,(H,19,20)
InChIKeyCEXDQZACUYMACJ-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.58
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide

N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 119642271) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID119642271
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H28N2OS/c1-3-16(18,4-2)13-19-15(20)17(10-6-5-7-11-17)14-9-8-12-21-14/h8-9,12H,3-7,10-11,13,18H2,1-2H3,(H,19,20)
InChIKeyCEXDQZACUYMACJ-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 119642271) is N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide is CCC(N)(CC)CNC(=O)C1(c2cccs2)CCCCC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is CEXDQZACUYMACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-16(18,4-2)13-19-15(20)17(10-6-5-7-11-17)14-9-8-12-21-14/h8-9,12H,3-7,10-11,13,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 308.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119642271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).