2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C21H28N2O5S — CID 100767629

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-21(2,14-16-9-7-6-8-10-16)22-20(24)15-23(3)29(25,26)17-11-12-18(27-4)19(13-17)28-5/h6-13H,14-15H2,1-5H3,(H,22,24)
InChIKeyXQIQPYYTUYRDNM-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.46
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100767629) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100767629
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-21(2,14-16-9-7-6-8-10-16)22-20(24)15-23(3)29(25,26)17-11-12-18(27-4)19(13-17)28-5/h6-13H,14-15H2,1-5H3,(H,22,24)
InChIKeyXQIQPYYTUYRDNM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401323
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796916
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100571114
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100767629) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is XQIQPYYTUYRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-21(2,14-16-9-7-6-8-10-16)22-20(24)15-23(3)29(25,26)17-11-12-18(27-4)19(13-17)28-5/h6-13H,14-15H2,1-5H3,(H,22,24).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100767629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).