N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide

C22H27N3O4S — CID 172631453

IUPACN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C22H27N3O4S/c1-6-8-21(26)24-16-10-7-9-15(11-16)17-13-23-20-12-18(29-5)19(14-25(17)20)30(27,28)22(2,3)4/h7,9-14H,6,8H2,1-5H3,(H,24,26)
InChIKeyNLKMZIXYUSMNQP-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.32
Rot. Bonds6

About N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide (PubChem CID 172631453) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
PubChem CID172631453
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C22H27N3O4S/c1-6-8-21(26)24-16-10-7-9-15(11-16)17-13-23-20-12-18(29-5)19(14-25(17)20)30(27,28)22(2,3)4/h7,9-14H,6,8H2,1-5H3,(H,24,26)
InChIKeyNLKMZIXYUSMNQP-UHFFFAOYSA-N
XLogP4.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 172630093
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
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-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
CID 170434746
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616439
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
N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
CID 159389279
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
CID 178094104

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide (CID 172631453) is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1.
What is the InChIKey of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The InChIKey is NLKMZIXYUSMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-6-8-21(26)24-16-10-7-9-15(11-16)17-13-23-20-12-18(29-5)19(14-25(17)20)30(27,28)22(2,3)4/h7,9-14H,6,8H2,1-5H3,(H,24,26).
What are the key properties of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide has a molecular weight of 429.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide is sourced from PubChem (CID 172631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).