N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide

C10H14ClNOS2 — CID 86996141

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS2/c1-7(14-2)10(13)12-6-5-8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyRHOZJQHHUFDPER-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide (PubChem CID 86996141) has the molecular formula C10H14ClNOS2 and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
PubChem CID86996141
Molecular FormulaC10H14ClNOS2
Molecular Weight263.81 g/mol
Exact Mass263.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS2/c1-7(14-2)10(13)12-6-5-8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyRHOZJQHHUFDPER-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
CID 94800140
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-ethoxyethoxy)propanamide
CID 51089322
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide (CID 86996141) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide?
The InChIKey is RHOZJQHHUFDPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS2/c1-7(14-2)10(13)12-6-5-8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide has a molecular weight of 263.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 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-methylsulfanylpropanamide is sourced from PubChem (CID 86996141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).