N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide

C23H35BrN2O3S — CID 60621681

IUPACN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35BrN2O3S/c1-2-3-17-30(28,29)26-15-11-20(12-16-26)22(27)25-23(13-5-4-6-14-23)18-19-7-9-21(24)10-8-19/h7-10,20H,2-6,11-18H2,1H3,(H,25,27)
InChIKeySSNIOXPOKXETTM-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.65
Rot. Bonds8

About N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide

N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide (PubChem CID 60621681) has the molecular formula C23H35BrN2O3S and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide
PubChem CID60621681
Molecular FormulaC23H35BrN2O3S
Molecular Weight499.52 g/mol
Exact Mass498.16
IUPAC NameN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35BrN2O3S/c1-2-3-17-30(28,29)26-15-11-20(12-16-26)22(27)25-23(13-5-4-6-14-23)18-19-7-9-21(24)10-8-19/h7-10,20H,2-6,11-18H2,1H3,(H,25,27)
InChIKeySSNIOXPOKXETTM-UHFFFAOYSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119568326
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-[2-(3-bromophenyl)-2-methylpropyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 60621603
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide (CID 60621681) is N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide?
The InChIKey is SSNIOXPOKXETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35BrN2O3S/c1-2-3-17-30(28,29)26-15-11-20(12-16-26)22(27)25-23(13-5-4-6-14-23)18-19-7-9-21(24)10-8-19/h7-10,20H,2-6,11-18H2,1H3,(H,25,27).
What are the key properties of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide?
N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-butylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 60621681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).