N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide

C14H19ClN4O3S — CID 154725867

IUPACN-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cnc2c(CCNS(C)(=O)=O)cc(Cl)cn12
InChIInChI=1S/C14H19ClN4O3S/c1-10(20)16-5-4-13-8-17-14-11(3-6-18-23(2,21)22)7-12(15)9-19(13)14/h7-9,18H,3-6H2,1-2H3,(H,16,20)
InChIKeyXWDVHDYNFBPTBK-UHFFFAOYSA-N
MW358.85 g/mol
LogP0.76
Rot. Bonds7

About N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide

N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide (PubChem CID 154725867) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide
PubChem CID154725867
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC NameN-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cnc2c(CCNS(C)(=O)=O)cc(Cl)cn12
InChIInChI=1S/C14H19ClN4O3S/c1-10(20)16-5-4-13-8-17-14-11(3-6-18-23(2,21)22)7-12(15)9-19(13)14/h7-9,18H,3-6H2,1-2H3,(H,16,20)
InChIKeyXWDVHDYNFBPTBK-UHFFFAOYSA-N
XLogP0.76
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide (CID 154725867) is N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide is CC(=O)NCCc1cnc2c(CCNS(C)(=O)=O)cc(Cl)cn12.
What is the InChIKey of N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide?
The InChIKey is XWDVHDYNFBPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3S/c1-10(20)16-5-4-13-8-17-14-11(3-6-18-23(2,21)22)7-12(15)9-19(13)14/h7-9,18H,3-6H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide?
N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide has a molecular weight of 358.85 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-8-[2-(methanesulfonamido)ethyl]imidazo[1,2-a]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 154725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).