N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide

C19H17NO3S2 — CID 43066844

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H17NO3S2/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)20-18(21)13-25-19-7-4-12-24-19/h2-12H,13H2,1H3,(H,20,21)
InChIKeyRLXMOKOVWWUKDP-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.28
Rot. Bonds7

About N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide

N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide (PubChem CID 43066844) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
PubChem CID43066844
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H17NO3S2/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)20-18(21)13-25-19-7-4-12-24-19/h2-12H,13H2,1H3,(H,20,21)
InChIKeyRLXMOKOVWWUKDP-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
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2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
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N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
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CID 27901681
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylimidazol-1-yl)propanamide
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7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
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CID 30897344

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide (CID 43066844) is N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide is COc1ccccc1Oc1ccc(NC(=O)CSc2cccs2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is RLXMOKOVWWUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)20-18(21)13-25-19-7-4-12-24-19/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide?
N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 371.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 43066844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).