N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide

C22H28N2O6S2 — CID 55358975

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C22H28N2O6S2/c1-17-7-8-18(15-21(17)32(28,29)24-13-5-3-4-6-14-24)23-22(25)16-30-19-9-11-20(12-10-19)31(2,26)27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyBEPRDOKVZQZOQR-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.98
Rot. Bonds7

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 55358975) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID55358975
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C22H28N2O6S2/c1-17-7-8-18(15-21(17)32(28,29)24-13-5-3-4-6-14-24)23-22(25)16-30-19-9-11-20(12-10-19)31(2,26)27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyBEPRDOKVZQZOQR-UHFFFAOYSA-N
XLogP2.98
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5195219
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 4215827
2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 30867486
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide (CID 55358975) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is BEPRDOKVZQZOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-17-7-8-18(15-21(17)32(28,29)24-13-5-3-4-6-14-24)23-22(25)16-30-19-9-11-20(12-10-19)31(2,26)27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 480.61 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 55358975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).