N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide

C24H33N3O6S2 — CID 170434746

IUPACN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(OC)c1C
InChIInChI=1S/C24H33N3O6S2/c1-9-10-34(28,29)26(6)18-11-17(12-20(32-7)16(18)2)19-14-25-23-13-21(33-8)22(15-27(19)23)35(30,31)24(3,4)5/h11-15H,9-10H2,1-8H3
InChIKeyGCLOBKLYKJAXRC-UHFFFAOYSA-N
MW523.68 g/mol
LogP4.08
Rot. Bonds8

About N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide

N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide (PubChem CID 170434746) has the molecular formula C24H33N3O6S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
PubChem CID170434746
Molecular FormulaC24H33N3O6S2
Molecular Weight523.68 g/mol
Exact Mass523.18
IUPAC NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(OC)c1C
InChIInChI=1S/C24H33N3O6S2/c1-9-10-34(28,29)26(6)18-11-17(12-20(32-7)16(18)2)19-14-25-23-13-21(33-8)22(15-27(19)23)35(30,31)24(3,4)5/h11-15H,9-10H2,1-8H3
InChIKeyGCLOBKLYKJAXRC-UHFFFAOYSA-N
XLogP4.08
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
3-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxy-3-methylanilino]propan-1-ol
CID 170434857
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 172631885
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 170434784
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide (CID 170434746) is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)c1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(OC)c1C.
What is the InChIKey of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide?
The InChIKey is GCLOBKLYKJAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S2/c1-9-10-34(28,29)26(6)18-11-17(12-20(32-7)16(18)2)19-14-25-23-13-21(33-8)22(15-27(19)23)35(30,31)24(3,4)5/h11-15H,9-10H2,1-8H3.
What are the key properties of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide?
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide has a molecular weight of 523.68 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 170434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).