N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide

C31H30N4O4S — CID 10007847

IUPACN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30N4O4S/c1-5-28-33-29-20(2)18-21(3)32-30(29)35(28)19-22-10-12-23(13-11-22)26-8-6-7-9-27(26)40(37,38)34-31(36)24-14-16-25(39-4)17-15-24/h6-18H,5,19H2,1-4H3,(H,34,36)
InChIKeyIRQSDNILKLKJIU-UHFFFAOYSA-N
MW554.67 g/mol
LogP5.45
Rot. Bonds8

About N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide

N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide (PubChem CID 10007847) has the molecular formula C31H30N4O4S and a molecular weight of 554.67 g/mol. Its IUPAC name is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide
PubChem CID10007847
Molecular FormulaC31H30N4O4S
Molecular Weight554.67 g/mol
Exact Mass554.20
IUPAC NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30N4O4S/c1-5-28-33-29-20(2)18-21(3)32-30(29)35(28)19-22-10-12-23(13-11-22)26-8-6-7-9-27(26)40(37,38)34-31(36)24-14-16-25(39-4)17-15-24/h6-18H,5,19H2,1-4H3,(H,34,36)
InChIKeyIRQSDNILKLKJIU-UHFFFAOYSA-N
XLogP5.45
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

MK 996
CID 133031
L-163491
CID 9852384
N-{2-(2,3-Dihydro-benzofuran-6-yl)-2-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2-propyl-phenoxy]-acetyl}-4-isopropyl-benzenesulfonamide
CID 44404967
N-(2,6-diphenylimidazo[1,2-a]pyrazin-8-yl)-4-methoxybenzamide
CID 137633669
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097
4-[1-(4-Methoxybenzoyl)benzimidazol-2-yl]benzenesulfonic acid
CID 50907935
N-[4-[(E)-3-[4-(9-ethylpurin-6-yl)oxyphenyl]prop-2-enoyl]phenyl]-2-methylbenzenesulfonamide
CID 156017691
(4-Methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 164624770
N-[4-butoxy-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylhexanamide
CID 9960171
Benzamide, N-((4'-((2-ethyl-5,7-dimethyl-3H-imidazo(4,5-b)pyridin-3-yl)methyl)(1,1'-biphenyl)-2-yl)sulfonyl)-4-(methoxy-11C)-
CID 450818
N-(4-methoxyphenyl)sulfonyl-3-(1-propan-2-ylbenzimidazol-2-yl)benzamide
CID 178304415
N-(4-methoxyphenyl)sulfonyl-3-(1-methylbenzimidazol-2-yl)benzamide
CID 178306819

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide?
The IUPAC name of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide (CID 10007847) is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide?
The InChIKey is IRQSDNILKLKJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O4S/c1-5-28-33-29-20(2)18-21(3)32-30(29)35(28)19-22-10-12-23(13-11-22)26-8-6-7-9-27(26)40(37,38)34-31(36)24-14-16-25(39-4)17-15-24/h6-18H,5,19H2,1-4H3,(H,34,36).
What are the key properties of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide?
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide has a molecular weight of 554.67 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 10007847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).