N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

C21H26N4O4S — CID 55766233

IUPACN-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C21H26N4O4S/c1-15-10-11-18(23-21(27)22-17-8-4-3-5-9-17)13-19(15)24-20(26)16-7-6-12-25(14-16)30(2,28)29/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyZHGLCDJWLXUGLI-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.25
Rot. Bonds5

About N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55766233) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55766233
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C21H26N4O4S/c1-15-10-11-18(23-21(27)22-17-8-4-3-5-9-17)13-19(15)24-20(26)16-7-6-12-25(14-16)30(2,28)29/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyZHGLCDJWLXUGLI-UHFFFAOYSA-N
XLogP3.25
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55895249
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 55766233) is N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZHGLCDJWLXUGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-10-11-18(23-21(27)22-17-8-4-3-5-9-17)13-19(15)24-20(26)16-7-6-12-25(14-16)30(2,28)29/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55766233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).