2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

C25H24N2O4S2 — CID 30803668

IUPAC2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C25H24N2O4S2/c1-18(20-14-13-19-8-3-4-9-21(19)16-20)26-24(28)17-27(22-10-5-6-11-23(22)31-2)33(29,30)25-12-7-15-32-25/h3-16,18H,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyQEKJAHSRCMIFLG-SFHVURJKSA-N
MW480.61 g/mol
LogP4.98
Rot. Bonds8

About 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 30803668) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
PubChem CID30803668
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C25H24N2O4S2/c1-18(20-14-13-19-8-3-4-9-21(19)16-20)26-24(28)17-27(22-10-5-6-11-23(22)31-2)33(29,30)25-12-7-15-32-25/h3-16,18H,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyQEKJAHSRCMIFLG-SFHVURJKSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897780
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78839418
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133164973
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901729
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 124740588
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (CID 30803668) is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is QEKJAHSRCMIFLG-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-18(20-14-13-19-8-3-4-9-21(19)16-20)26-24(28)17-27(22-10-5-6-11-23(22)31-2)33(29,30)25-12-7-15-32-25/h3-16,18H,17H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 30803668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).