4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide

C26H25N3O4S — CID 44581242

IUPAC4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
InChIKeyBJACFZCSEUDRAZ-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.86
Rot. Bonds8

About 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide

4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (PubChem CID 44581242) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
PubChem CID44581242
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
InChIKeyBJACFZCSEUDRAZ-UHFFFAOYSA-N
XLogP4.86
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
[3H]Empa
CID 42604859
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164620413
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
1-(4-Methoxy-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 9969402
1-(Benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
1-(4-Methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10069527
5-Methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10094169

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (CID 44581242) is 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is BJACFZCSEUDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3.
What are the key properties of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 44581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).