N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

C18H16BrN5O3S — CID 55975623

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1cn2cc(Br)ccc2n1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H16BrN5O3S/c1-23(28(26,27)16-5-2-13(8-20)3-6-16)12-18(25)21-9-15-11-24-10-14(19)4-7-17(24)22-15/h2-7,10-11H,9,12H2,1H3,(H,21,25)
InChIKeyOZXCCCNEXJHHIC-UHFFFAOYSA-N
MW462.33 g/mol
LogP1.91
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (PubChem CID 55975623) has the molecular formula C18H16BrN5O3S and a molecular weight of 462.33 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
PubChem CID55975623
Molecular FormulaC18H16BrN5O3S
Molecular Weight462.33 g/mol
Exact Mass461.02
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1cn2cc(Br)ccc2n1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H16BrN5O3S/c1-23(28(26,27)16-5-2-13(8-20)3-6-16)12-18(25)21-9-15-11-24-10-14(19)4-7-17(24)22-15/h2-7,10-11H,9,12H2,1H3,(H,21,25)
InChIKeyOZXCCCNEXJHHIC-UHFFFAOYSA-N
XLogP1.91
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 112826372
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55699584
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile
CID 133456656
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55977403
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33116898
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747187
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (CID 55975623) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NCc1cn2cc(Br)ccc2n1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OZXCCCNEXJHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O3S/c1-23(28(26,27)16-5-2-13(8-20)3-6-16)12-18(25)21-9-15-11-24-10-14(19)4-7-17(24)22-15/h2-7,10-11H,9,12H2,1H3,(H,21,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 462.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 55975623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).