N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

C23H29N3O5S — CID 99960058

IUPACN-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O5S/c1-31-16-13-24-23(28)20-7-3-4-8-21(20)25-22(27)19-11-9-18(10-12-19)17-32(29,30)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyGGSRZKYFCGEIEW-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.63
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (PubChem CID 99960058) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
PubChem CID99960058
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O5S/c1-31-16-13-24-23(28)20-7-3-4-8-21(20)25-22(27)19-11-9-18(10-12-19)17-32(29,30)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyGGSRZKYFCGEIEW-UHFFFAOYSA-N
XLogP2.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.63
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-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 46763665
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 92642602
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 92672920
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642478
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 38097121
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (CID 99960058) is N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is COCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The InChIKey is GGSRZKYFCGEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-31-16-13-24-23(28)20-7-3-4-8-21(20)25-22(27)19-11-9-18(10-12-19)17-32(29,30)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide has a molecular weight of 459.57 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 99960058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).