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

C30H28N4O4S — CID 90841546

IUPACethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(C)cc1-c1ccc(-n2c(-c3ccccc3)nc3c(C)nc(C)cc32)cc1
InChIInChI=1S/C30H28N4O4S/c1-5-38-30(35)33-39(36,37)27-16-11-19(2)17-25(27)22-12-14-24(15-13-22)34-26-18-20(3)31-21(4)28(26)32-29(34)23-9-7-6-8-10-23/h6-18H,5H2,1-4H3,(H,33,35)
InChIKeyQLXBNPSYCTXVAR-UHFFFAOYSA-N
MW540.65 g/mol
LogP6.11
Rot. Bonds6

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

ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate (PubChem CID 90841546) has the molecular formula C30H28N4O4S and a molecular weight of 540.65 g/mol. Its IUPAC name is ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate
PubChem CID90841546
Molecular FormulaC30H28N4O4S
Molecular Weight540.65 g/mol
Exact Mass540.18
IUPAC Nameethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(C)cc1-c1ccc(-n2c(-c3ccccc3)nc3c(C)nc(C)cc32)cc1
InChIInChI=1S/C30H28N4O4S/c1-5-38-30(35)33-39(36,37)27-16-11-19(2)17-25(27)22-12-14-24(15-13-22)34-26-18-20(3)31-21(4)28(26)32-29(34)23-9-7-6-8-10-23/h6-18H,5H2,1-4H3,(H,33,35)
InChIKeyQLXBNPSYCTXVAR-UHFFFAOYSA-N
XLogP6.11
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[4-methyl-2-[4-(4-phenylimidazol-1-yl)phenyl]phenyl]sulfonylcarbamate
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CID 91164568
ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate
CID 90741895
1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone
CID 157383939
2-[4-(2-ethyl-5-methyl-4-phenylimidazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 91159372
2-ethoxy-N-[2-(4-methylphenyl)-4-phenylphenyl]sulfonylbenzamide;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine
CID 145432552
ethyl N-[4-(diethylaminomethyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate
CID 72737193
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
CID 132546432
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
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CID 134066812

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate (CID 90841546) is ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1ccc(C)cc1-c1ccc(-n2c(-c3ccccc3)nc3c(C)nc(C)cc32)cc1.
What is the InChIKey of ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate?
The InChIKey is QLXBNPSYCTXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4S/c1-5-38-30(35)33-39(36,37)27-16-11-19(2)17-25(27)22-12-14-24(15-13-22)34-26-18-20(3)31-21(4)28(26)32-29(34)23-9-7-6-8-10-23/h6-18H,5H2,1-4H3,(H,33,35).
What are the key properties of ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate?
ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate has a molecular weight of 540.65 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(4,6-dimethyl-2-phenylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-methylphenyl]sulfonylcarbamate is sourced from PubChem (CID 90841546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).