N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide

C15H16ClNO2S2 — CID 75376919

IUPACN-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NCCS(=O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-11(13-7-8-14(16)20-13)15(18)17-9-10-21(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyMXJVUEZENVRHDX-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.43
Rot. Bonds6

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

N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 75376919) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID75376919
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC NameN-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NCCS(=O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-11(13-7-8-14(16)20-13)15(18)17-9-10-21(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyMXJVUEZENVRHDX-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[2-(4-Chlorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]butanamide
CID 22581589
N-(4-chlorobenzyl)-2-(thiophen-2-yl)acetamide
CID 807688
N-(3-chlorobenzyl)-2-thien-2-ylacetamide
CID 1246165
2-(4-Chlorophenyl)-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
CID 16032134
2-(4-chlorophenyl)-N-(2-(thiophen-2-yl)-2-tosylethyl)acetamide
CID 16030861
N-[2-(4-Chlorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-(4-chlorophenyl)acetamide
CID 16030865
2-(4-chlorophenyl)-N-[2-(phenylsulfonyl)-2-(2-thienyl)ethyl]acetamide
CID 16032045
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2297301
1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 4101212
3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4119959
N-[2-(4-Chlorophenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322908

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide (CID 75376919) is N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide is CC(C(=O)NCCS(=O)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is MXJVUEZENVRHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-11(13-7-8-14(16)20-13)15(18)17-9-10-21(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide?
N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 341.89 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 75376919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).