N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

C13H18ClNO2S — CID 111536745

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c14-11-4-3-10(18-11)5-8-15-12(16)9-13(17)6-1-2-7-13/h3-4,17H,1-2,5-9H2,(H,15,16)
InChIKeyWOUOJMHDLABPCL-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111536745) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111536745
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c14-11-4-3-10(18-11)5-8-15-12(16)9-13(17)6-1-2-7-13/h3-4,17H,1-2,5-9H2,(H,15,16)
InChIKeyWOUOJMHDLABPCL-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032552
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438324
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540672

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111536745) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is WOUOJMHDLABPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-11-4-3-10(18-11)5-8-15-12(16)9-13(17)6-1-2-7-13/h3-4,17H,1-2,5-9H2,(H,15,16).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 287.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111536745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).