4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide

C27H27BrClN3O4S — CID 166347794

IUPAC4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H27BrClN3O4S/c28-21-8-4-20(5-9-21)27(34)31-23-12-6-19(7-13-23)26(33)30-17-16-24-3-1-2-18-32(24)37(35,36)25-14-10-22(29)11-15-25/h4-15,24H,1-3,16-18H2,(H,30,33)(H,31,34)
InChIKeyKALNDTNATCUNDZ-UHFFFAOYSA-N
MW604.95 g/mol
LogP5.72
Rot. Bonds8

About 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide

4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide (PubChem CID 166347794) has the molecular formula C27H27BrClN3O4S and a molecular weight of 604.95 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
PubChem CID166347794
Molecular FormulaC27H27BrClN3O4S
Molecular Weight604.95 g/mol
Exact Mass603.06
IUPAC Name4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H27BrClN3O4S/c28-21-8-4-20(5-9-21)27(34)31-23-12-6-19(7-13-23)26(33)30-17-16-24-3-1-2-18-32(24)37(35,36)25-14-10-22(29)11-15-25/h4-15,24H,1-3,16-18H2,(H,30,33)(H,31,34)
InChIKeyKALNDTNATCUNDZ-UHFFFAOYSA-N
XLogP5.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.95
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
CID 41196002
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
CID 71172557
N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide (CID 166347794) is 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide is O=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide?
The InChIKey is KALNDTNATCUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrClN3O4S/c28-21-8-4-20(5-9-21)27(34)31-23-12-6-19(7-13-23)26(33)30-17-16-24-3-1-2-18-32(24)37(35,36)25-14-10-22(29)11-15-25/h4-15,24H,1-3,16-18H2,(H,30,33)(H,31,34).
What are the key properties of 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide?
4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide has a molecular weight of 604.95 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 166347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).