2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O4S — CID 113151198

IUPAC2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)16-9-11-18(12-10-16)21-20(23)14-22(27(4,24)25)13-17-7-5-6-8-19(17)26-3/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyGMCMMDOWTPESJU-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.22
Rot. Bonds8

About 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113151198) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113151198
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)16-9-11-18(12-10-16)21-20(23)14-22(27(4,24)25)13-17-7-5-6-8-19(17)26-3/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyGMCMMDOWTPESJU-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113151199
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113150711
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 113151198) is 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GMCMMDOWTPESJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)16-9-11-18(12-10-16)21-20(23)14-22(27(4,24)25)13-17-7-5-6-8-19(17)26-3/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113151198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).