N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C20H26N2O5S — CID 9477701

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-14-8-6-7-9-18(14)22(28(5,24)25)13-20(23)21-15(2)17-12-16(26-3)10-11-19(17)27-4/h6-12,15H,13H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeyUTSCCFAOUGWLTM-HNNXBMFYSA-N
MW406.50 g/mol
LogP2.66
Rot. Bonds8

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 9477701) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID9477701
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-14-8-6-7-9-18(14)22(28(5,24)25)13-20(23)21-15(2)17-12-16(26-3)10-11-19(17)27-4/h6-12,15H,13H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeyUTSCCFAOUGWLTM-HNNXBMFYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133209974
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133200085
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
N-[1-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 133265347

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 9477701) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is UTSCCFAOUGWLTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14-8-6-7-9-18(14)22(28(5,24)25)13-20(23)21-15(2)17-12-16(26-3)10-11-19(17)27-4/h6-12,15H,13H2,1-5H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 9477701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).