N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride

C20H28ClN3O4S — CID 159755046

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C2CCCN(C)C2)cc1.Cl.[H][H]
InChIInChI=1S/C20H25N3O4S.ClH.H2/c1-23-13-5-6-15(14-23)20(24)21-18-7-3-4-8-19(18)22-28(25,26)17-11-9-16(27-2)10-12-17;;/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,21,24);2*1H
InChIKeyBFLOUPQNFBJPSP-UHFFFAOYSA-N
MW441.98 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride

N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride (PubChem CID 159755046) has the molecular formula C20H28ClN3O4S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride
PubChem CID159755046
Molecular FormulaC20H28ClN3O4S
Molecular Weight441.98 g/mol
Exact Mass441.15
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C2CCCN(C)C2)cc1.Cl.[H][H]
InChIInChI=1S/C20H25N3O4S.ClH.H2/c1-23-13-5-6-15(14-23)20(24)21-18-7-3-4-8-19(18)22-28(25,26)17-11-9-16(27-2)10-12-17;;/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,21,24);2*1H
InChIKeyBFLOUPQNFBJPSP-UHFFFAOYSA-N
XLogP3.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;hydrochloride
CID 162337803
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98054406
N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119484526
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride (CID 159755046) is N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride is COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C2CCCN(C)C2)cc1.Cl.[H][H].
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride?
The InChIKey is BFLOUPQNFBJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S.ClH.H2/c1-23-13-5-6-15(14-23)20(24)21-18-7-3-4-8-19(18)22-28(25,26)17-11-9-16(27-2)10-12-17;;/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,21,24);2*1H.
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride?
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride has a molecular weight of 441.98 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;molecular hydrogen;hydrochloride is sourced from PubChem (CID 159755046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).