2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H24N2O5S — CID 92678134

IUPAC2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-16-7-5-15(6-8-16)13-20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-3-4-12-22/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,23)
InChIKeyMIUJCJUHCQYPGW-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.67
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 92678134) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID92678134
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-16-7-5-15(6-8-16)13-20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-3-4-12-22/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,23)
InChIKeyMIUJCJUHCQYPGW-UHFFFAOYSA-N
XLogP2.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26065721
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110629432
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55486530
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 92678134) is 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MIUJCJUHCQYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-16-7-5-15(6-8-16)13-20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-3-4-12-22/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 92678134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).