2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide

C18H27BrN2OS — CID 9264428

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CSc2cc(C)c(Br)cc2C)CC1
InChIInChI=1S/C18H27BrN2OS/c1-4-7-21-8-5-15(6-9-21)20-18(22)12-23-17-11-13(2)16(19)10-14(17)3/h10-11,15H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyRFZCJJXNCVGFLY-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 9264428) has the molecular formula C18H27BrN2OS and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID9264428
Molecular FormulaC18H27BrN2OS
Molecular Weight399.40 g/mol
Exact Mass398.10
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CSc2cc(C)c(Br)cc2C)CC1
InChIInChI=1S/C18H27BrN2OS/c1-4-7-21-8-5-15(6-9-21)20-18(22)12-23-17-11-13(2)16(19)10-14(17)3/h10-11,15H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyRFZCJJXNCVGFLY-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119450666
trans-(1R,3R)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774631
cis-(1R,3S)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774632
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide
CID 62490065
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-methylacetamide
CID 32522403
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56568902
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 43357537
(2S)-2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61153514
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959675
N-[(2S)-1-aminopropan-2-yl]-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 120506834
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide (CID 9264428) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)CSc2cc(C)c(Br)cc2C)CC1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is RFZCJJXNCVGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2OS/c1-4-7-21-8-5-15(6-9-21)20-18(22)12-23-17-11-13(2)16(19)10-14(17)3/h10-11,15H,4-9,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 399.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 9264428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).