2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

C23H28ClN3O5S — CID 55878268

IUPAC2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-16-6-3-4-12-27(16)33(30,31)19-8-5-7-17(14-19)22(28)26-18-9-10-20(21(24)15-18)23(29)25-11-13-32-2/h5,7-10,14-16H,3-4,6,11-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyCUZCGEZUFJPCLT-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.53
Rot. Bonds8

About 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (PubChem CID 55878268) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
PubChem CID55878268
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-16-6-3-4-12-27(16)33(30,31)19-8-5-7-17(14-19)22(28)26-18-9-10-20(21(24)15-18)23(29)25-11-13-32-2/h5,7-10,14-16H,3-4,6,11-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyCUZCGEZUFJPCLT-UHFFFAOYSA-N
XLogP3.53
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.53
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-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (CID 55878268) is 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is COCCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The InChIKey is CUZCGEZUFJPCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-16-6-3-4-12-27(16)33(30,31)19-8-5-7-17(14-19)22(28)26-18-9-10-20(21(24)15-18)23(29)25-11-13-32-2/h5,7-10,14-16H,3-4,6,11-13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide has a molecular weight of 494.01 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is sourced from PubChem (CID 55878268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).