2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide

C16H18BrN3OS — CID 55620966

IUPAC2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CSc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3OS/c1-20(2)15-8-3-12(9-18-15)10-19-16(21)11-22-14-6-4-13(17)5-7-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyZDCWRIGSXFANOK-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.32
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide (PubChem CID 55620966) has the molecular formula C16H18BrN3OS and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
PubChem CID55620966
Molecular FormulaC16H18BrN3OS
Molecular Weight380.31 g/mol
Exact Mass379.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CSc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3OS/c1-20(2)15-8-3-12(9-18-15)10-19-16(21)11-22-14-6-4-13(17)5-7-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyZDCWRIGSXFANOK-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]acetamide
CID 46414907
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
CID 55706123
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide
CID 154873870
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide (CID 55620966) is 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide is CN(C)c1ccc(CNC(=O)CSc2ccc(Br)cc2)cn1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The InChIKey is ZDCWRIGSXFANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3OS/c1-20(2)15-8-3-12(9-18-15)10-19-16(21)11-22-14-6-4-13(17)5-7-14/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide has a molecular weight of 380.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55620966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).