N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide

C22H28N2O5S — CID 4787017

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-18-9-7-17(8-10-18)15-22(25)23-20-16-19(11-12-21(20)29-2)30(26,27)24-13-5-3-4-6-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25)
InChIKeyZBUHBNMZEVIXLQ-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.45
Rot. Bonds7

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 4787017) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID4787017
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-18-9-7-17(8-10-18)15-22(25)23-20-16-19(11-12-21(20)29-2)30(26,27)24-13-5-3-4-6-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25)
InChIKeyZBUHBNMZEVIXLQ-UHFFFAOYSA-N
XLogP3.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
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
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55486530
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide (CID 4787017) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZBUHBNMZEVIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-18-9-7-17(8-10-18)15-22(25)23-20-16-19(11-12-21(20)29-2)30(26,27)24-13-5-3-4-6-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4787017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).