N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide

C22H26BrN3O2S — CID 55832851

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26BrN3O2S/c1-16(29-20-9-7-17(23)8-10-20)22(28)25-19-11-13-26(14-12-19)15-21(27)24-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBMMNBTOHSNVTQW-UHFFFAOYSA-N
MW476.44 g/mol
LogP4.15
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide (PubChem CID 55832851) has the molecular formula C22H26BrN3O2S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
PubChem CID55832851
Molecular FormulaC22H26BrN3O2S
Molecular Weight476.44 g/mol
Exact Mass475.09
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26BrN3O2S/c1-16(29-20-9-7-17(23)8-10-20)22(28)25-19-11-13-26(14-12-19)15-21(27)24-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBMMNBTOHSNVTQW-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
CID 24590893
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120797554
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide (CID 55832851) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide is CC(Sc1ccc(Br)cc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide?
The InChIKey is BMMNBTOHSNVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2S/c1-16(29-20-9-7-17(23)8-10-20)22(28)25-19-11-13-26(14-12-19)15-21(27)24-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide has a molecular weight of 476.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 55832851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).