ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate

C26H28N4O4S — CID 174641346

IUPACethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(c1cccc(-n2c(CC)nc3c(C)nc(C)cc32)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N4O4S/c1-6-24-28-25-19(5)27-18(4)15-23(25)29(24)20-9-8-10-21(16-20)30(26(31)34-7-2)35(32,33)22-13-11-17(3)12-14-22/h8-16H,6-7H2,1-5H3
InChIKeyRPXFEMJOJIFKSE-UHFFFAOYSA-N
MW492.60 g/mol
LogP5.26
Rot. Bonds6

About ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate

ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 174641346) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID174641346
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Nameethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(c1cccc(-n2c(CC)nc3c(C)nc(C)cc32)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N4O4S/c1-6-24-28-25-19(5)27-18(4)15-23(25)29(24)20-9-8-10-21(16-20)30(26(31)34-7-2)35(32,33)22-13-11-17(3)12-14-22/h8-16H,6-7H2,1-5H3
InChIKeyRPXFEMJOJIFKSE-UHFFFAOYSA-N
XLogP5.26
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate with MolForge

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Related Compounds

1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-1-methyl-3-(4-methylphenyl)sulfonylurea
CID 159363356
N-[2-[4-(2-butyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate;4-methylbenzenesulfonic acid
CID 86613469
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
[[(4-methylphenyl)sulfonyl-phenylcarbamoyl]amino] 3-methylbenzenesulfonate
CID 91111235
1-[3-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 18328595
tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
CID 70074555
ethyl N-chlorosulfonyl-N-(3-nitrophenyl)carbamate
CID 87295711
2-[4-(5-acetyl-2-ethylbenzimidazol-1-yl)phenyl]ethyl-(4-methylphenyl)sulfonylcarbamic acid
CID 67098967
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
[1-[4-(5-acetyl-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropan-2-yl]-(4-methylphenyl)sulfonylcarbamic acid
CID 67099261

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate (CID 174641346) is ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate is CCOC(=O)N(c1cccc(-n2c(CC)nc3c(C)nc(C)cc32)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is RPXFEMJOJIFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-6-24-28-25-19(5)27-18(4)15-23(25)29(24)20-9-8-10-21(16-20)30(26(31)34-7-2)35(32,33)22-13-11-17(3)12-14-22/h8-16H,6-7H2,1-5H3.
What are the key properties of ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate?
ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 492.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 174641346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).