2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate

C21H26N4O4S — CID 10906129

IUPAC2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
SMILESCc1cccc(NC(=O)OCCS(C)(=O)=O)c1CNc1cccn2c(C)c(C)nc12
InChIInChI=1S/C21H26N4O4S/c1-14-7-5-8-18(24-21(26)29-11-12-30(4,27)28)17(14)13-22-19-9-6-10-25-16(3)15(2)23-20(19)25/h5-10,22H,11-13H2,1-4H3,(H,24,26)
InChIKeyUTLCLRJVAFOGBI-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.46
Rot. Bonds7

About 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate

2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate (PubChem CID 10906129) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Name2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
PubChem CID10906129
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
SMILESCc1cccc(NC(=O)OCCS(C)(=O)=O)c1CNc1cccn2c(C)c(C)nc12
InChIInChI=1S/C21H26N4O4S/c1-14-7-5-8-18(24-21(26)29-11-12-30(4,27)28)17(14)13-22-19-9-6-10-25-16(3)15(2)23-20(19)25/h5-10,22H,11-13H2,1-4H3,(H,24,26)
InChIKeyUTLCLRJVAFOGBI-UHFFFAOYSA-N
XLogP3.46
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The IUPAC name of 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate (CID 10906129) is 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate.
What is the SMILES notation for 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The canonical SMILES for 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate is Cc1cccc(NC(=O)OCCS(C)(=O)=O)c1CNc1cccn2c(C)c(C)nc12.
What is the InChIKey of 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The InChIKey is UTLCLRJVAFOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-7-5-8-18(24-21(26)29-11-12-30(4,27)28)17(14)13-22-19-9-6-10-25-16(3)15(2)23-20(19)25/h5-10,22H,11-13H2,1-4H3,(H,24,26).
What are the key properties of 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate has a molecular weight of 430.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate is sourced from PubChem (CID 10906129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).