N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

C17H25N3O5S — CID 24542872

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-25-12-9-18-16(21)13-19-17(22)14-5-7-15(8-6-14)26(23,24)20-10-3-2-4-11-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyWFCRPRDLQKKPCL-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.35
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 24542872) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID24542872
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-25-12-9-18-16(21)13-19-17(22)14-5-7-15(8-6-14)26(23,24)20-10-3-2-4-11-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyWFCRPRDLQKKPCL-UHFFFAOYSA-N
XLogP0.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 70768216
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (CID 24542872) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is COCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WFCRPRDLQKKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-25-12-9-18-16(21)13-19-17(22)14-5-7-15(8-6-14)26(23,24)20-10-3-2-4-11-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24542872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).