N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

C21H25N3O4S — CID 3266532

IUPACN-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H25N3O4S/c1-2-22-21(26)18-11-4-5-12-19(18)23-20(25)16-9-8-10-17(15-16)29(27,28)24-13-6-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyPKSBCLLZFAFCCW-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 3266532) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID3266532
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H25N3O4S/c1-2-22-21(26)18-11-4-5-12-19(18)23-20(25)16-9-8-10-17(15-16)29(27,28)24-13-6-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyPKSBCLLZFAFCCW-UHFFFAOYSA-N
XLogP2.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 3266532) is N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is PKSBCLLZFAFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-2-22-21(26)18-11-4-5-12-19(18)23-20(25)16-9-8-10-17(15-16)29(27,28)24-13-6-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 3266532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).