2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

C21H28N2O5S — CID 30220367

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-5-18(16-11-13-17(27-3)14-12-16)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyFVITWTOREIVFFZ-SFHVURJKSA-N
MW420.53 g/mol
LogP3.13
Rot. Bonds10

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30220367) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID30220367
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-5-18(16-11-13-17(27-3)14-12-16)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyFVITWTOREIVFFZ-SFHVURJKSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 30396951
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886231
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898665
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (CID 30220367) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is FVITWTOREIVFFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-18(16-11-13-17(27-3)14-12-16)22-21(24)15-23(29(4,25)26)19-9-7-8-10-20(19)28-6-2/h7-14,18H,5-6,15H2,1-4H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30220367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).