3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C22H28N4O4S — CID 55962948

IUPAC3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C22H28N4O4S/c1-16(19-12-6-7-13-20(19)25-31(2,29)30)23-21(27)17-9-8-14-26(15-17)22(28)24-18-10-4-3-5-11-18/h3-7,10-13,16-17,25H,8-9,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXZYXJPZDSAQPNL-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.18
Rot. Bonds6

About 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55962948) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55962948
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C22H28N4O4S/c1-16(19-12-6-7-13-20(19)25-31(2,29)30)23-21(27)17-9-8-14-26(15-17)22(28)24-18-10-4-3-5-11-18/h3-7,10-13,16-17,25H,8-9,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXZYXJPZDSAQPNL-UHFFFAOYSA-N
XLogP3.18
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 35067743
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55962948) is 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is XZYXJPZDSAQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-16(19-12-6-7-13-20(19)25-31(2,29)30)23-21(27)17-9-8-14-26(15-17)22(28)24-18-10-4-3-5-11-18/h3-7,10-13,16-17,25H,8-9,14-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55962948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).