[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C22H31N3O7S — CID 42980856

IUPAC[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H31N3O7S/c1-31-18-10-9-17(14-19(18)33(29,30)25-12-6-3-7-13-25)23-20(26)16-32-22(28)15-24-11-5-2-4-8-21(24)27/h9-10,14H,2-8,11-13,15-16H2,1H3,(H,23,26)
InChIKeyALZRUTYMXBDANS-UHFFFAOYSA-N
MW481.57 g/mol
LogP1.75
Rot. Bonds8

About [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 42980856) has the molecular formula C22H31N3O7S and a molecular weight of 481.57 g/mol. Its IUPAC name is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID42980856
Molecular FormulaC22H31N3O7S
Molecular Weight481.57 g/mol
Exact Mass481.19
IUPAC Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H31N3O7S/c1-31-18-10-9-17(14-19(18)33(29,30)25-12-6-3-7-13-25)23-20(26)16-32-22(28)15-24-11-5-2-4-8-21(24)27/h9-10,14H,2-8,11-13,15-16H2,1H3,(H,23,26)
InChIKeyALZRUTYMXBDANS-UHFFFAOYSA-N
XLogP1.75
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate with MolForge

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 18776911
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41379433
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 42118835

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 42980856) is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is COc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is ALZRUTYMXBDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O7S/c1-31-18-10-9-17(14-19(18)33(29,30)25-12-6-3-7-13-25)23-20(26)16-32-22(28)15-24-11-5-2-4-8-21(24)27/h9-10,14H,2-8,11-13,15-16H2,1H3,(H,23,26).
What are the key properties of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 481.57 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 42980856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).