3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

C20H26N2O2S — CID 119816673

IUPAC3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)N(Cc2ccccc2)CC(O)c2cccs2)C1
InChIInChI=1S/C20H26N2O2S/c21-17-9-4-8-16(12-17)20(24)22(13-15-6-2-1-3-7-15)14-18(23)19-10-5-11-25-19/h1-3,5-7,10-11,16-18,23H,4,8-9,12-14,21H2
InChIKeyQNRPIHCQYADXGW-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.33
Rot. Bonds6

About 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 119816673) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID119816673
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)N(Cc2ccccc2)CC(O)c2cccs2)C1
InChIInChI=1S/C20H26N2O2S/c21-17-9-4-8-16(12-17)20(24)22(13-15-6-2-1-3-7-15)14-18(23)19-10-5-11-25-19/h1-3,5-7,10-11,16-18,23H,4,8-9,12-14,21H2
InChIKeyQNRPIHCQYADXGW-UHFFFAOYSA-N
XLogP3.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119816686
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759574
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (CID 119816673) is 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)N(Cc2ccccc2)CC(O)c2cccs2)C1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is QNRPIHCQYADXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c21-17-9-4-8-16(12-17)20(24)22(13-15-6-2-1-3-7-15)14-18(23)19-10-5-11-25-19/h1-3,5-7,10-11,16-18,23H,4,8-9,12-14,21H2.
What are the key properties of 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119816673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).