N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

C20H24BrN3O3S — CID 26438440

IUPACN-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O3S/c1-15-5-10-18(28(26,27)24-11-3-2-4-12-24)13-19(15)22-14-20(25)23-17-8-6-16(21)7-9-17/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25)
InChIKeyKWMWAWBHMOOBQJ-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.98
Rot. Bonds6

About N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 26438440) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID26438440
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O3S/c1-15-5-10-18(28(26,27)24-11-3-2-4-12-24)13-19(15)22-14-20(25)23-17-8-6-16(21)7-9-17/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25)
InChIKeyKWMWAWBHMOOBQJ-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4806473
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (CID 26438440) is N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is KWMWAWBHMOOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-15-5-10-18(28(26,27)24-11-3-2-4-12-24)13-19(15)22-14-20(25)23-17-8-6-16(21)7-9-17/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 466.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 26438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).