N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide

C22H27BrN2O3S — CID 71737584

IUPACN-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C22H27BrN2O3S/c1-2-24(16-18-8-4-3-5-9-18)22(26)19-12-14-25(15-13-19)29(27,28)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3
InChIKeyRHOMFPXZMHYPMW-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.04
Rot. Bonds7

About N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide

N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 71737584) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
PubChem CID71737584
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC NameN-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C22H27BrN2O3S/c1-2-24(16-18-8-4-3-5-9-18)22(26)19-12-14-25(15-13-19)29(27,28)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3
InChIKeyRHOMFPXZMHYPMW-UHFFFAOYSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
CID 55689168
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide (CID 71737584) is N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Br)CC1.
What is the InChIKey of N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is RHOMFPXZMHYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-2-24(16-18-8-4-3-5-9-18)22(26)19-12-14-25(15-13-19)29(27,28)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3.
What are the key properties of N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide?
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 479.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 71737584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).