N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide

C21H28N2O5S — CID 30388896

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-6-16-9-7-8-10-18(16)23(29(5,25)26)14-21(24)22-15(2)17-11-12-19(27-3)20(13-17)28-4/h7-13,15H,6,14H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyVGVDXGAEJQEWBV-HNNXBMFYSA-N
MW420.53 g/mol
LogP2.91
Rot. Bonds9

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30388896) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID30388896
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-6-16-9-7-8-10-18(16)23(29(5,25)26)14-21(24)22-15(2)17-11-12-19(27-3)20(13-17)28-4/h7-13,15H,6,14H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyVGVDXGAEJQEWBV-HNNXBMFYSA-N
XLogP2.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30387865
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94019199
2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100584779
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681167
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 99959520
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43904897

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide (CID 30388896) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is VGVDXGAEJQEWBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-6-16-9-7-8-10-18(16)23(29(5,25)26)14-21(24)22-15(2)17-11-12-19(27-3)20(13-17)28-4/h7-13,15H,6,14H2,1-5H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30388896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).