N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide

C22H29N3O4S — CID 4826047

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-3-25(18-10-6-4-7-11-18)30(27,28)19-12-13-21(29-2)20(16-19)23-22(26)17-24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H,23,26)
InChIKeyXMEUXWBPCPUPNR-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.33
Rot. Bonds8

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide (PubChem CID 4826047) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
PubChem CID4826047
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-3-25(18-10-6-4-7-11-18)30(27,28)19-12-13-21(29-2)20(16-19)23-22(26)17-24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H,23,26)
InChIKeyXMEUXWBPCPUPNR-UHFFFAOYSA-N
XLogP3.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30747930
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43901819
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 5167164
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide (CID 4826047) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCCCC2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide?
The InChIKey is XMEUXWBPCPUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-25(18-10-6-4-7-11-18)30(27,28)19-12-13-21(29-2)20(16-19)23-22(26)17-24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide has a molecular weight of 431.56 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 4826047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).