4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C23H29N3O7S — CID 55429440

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C23H29N3O7S/c1-15-7-8-17(34(29,30)26-9-5-4-6-10-26)13-18(15)25-23(28)16-11-19(31-2)22(20(12-16)32-3)33-14-21(24)27/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyOHDBGINIHAWCCX-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.30
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 55429440) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID55429440
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C23H29N3O7S/c1-15-7-8-17(34(29,30)26-9-5-4-6-10-26)13-18(15)25-23(28)16-11-19(31-2)22(20(12-16)32-3)33-14-21(24)27/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyOHDBGINIHAWCCX-UHFFFAOYSA-N
XLogP2.30
TPSA137.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036
methyl 2-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]phenoxy]acetate
CID 55883959
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 55429440) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is OHDBGINIHAWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-15-7-8-17(34(29,30)26-9-5-4-6-10-26)13-18(15)25-23(28)16-11-19(31-2)22(20(12-16)32-3)33-14-21(24)27/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 491.57 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55429440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).