N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H23BrN2O3S — CID 55595326

IUPACN-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3S/c21-18-6-4-5-17(13-18)15-22-20(24)14-16-7-9-19(10-8-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H,22,24)
InChIKeyNSIOCVQDKYDQDJ-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.48
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55595326) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55595326
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3S/c21-18-6-4-5-17(13-18)15-22-20(24)14-16-7-9-19(10-8-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H,22,24)
InChIKeyNSIOCVQDKYDQDJ-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727
4-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
4-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55594121
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 134029023
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55587783
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 119312860

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55595326) is N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is NSIOCVQDKYDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c21-18-6-4-5-17(13-18)15-22-20(24)14-16-7-9-19(10-8-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H,22,24).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 451.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55595326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).