N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide

C14H21NO2S — CID 90496727

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-18-13(10)12(16)9-15-14(17)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3,(H,15,17)
InChIKeyNFRZMSJKVSYIHY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.79
Rot. Bonds4

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 90496727) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID90496727
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-18-13(10)12(16)9-15-14(17)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3,(H,15,17)
InChIKeyNFRZMSJKVSYIHY-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
CID 155273686
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 95982685
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 56764065
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide (CID 90496727) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide is Cc1ccsc1C(O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is NFRZMSJKVSYIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-8-18-13(10)12(16)9-15-14(17)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3,(H,15,17).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 90496727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).