2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C25H29N3O4S — CID 27652183

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc2c1
InChIInChI=1S/C25H29N3O4S/c1-27(17-19-8-9-21-15-23(32-2)11-10-20(21)14-19)18-25(29)26-22-6-5-7-24(16-22)33(30,31)28-12-3-4-13-28/h5-11,14-16H,3-4,12-13,17-18H2,1-2H3,(H,26,29)
InChIKeyRFYMZSNSEITSDO-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.70
Rot. Bonds8

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 27652183) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID27652183
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc2c1
InChIInChI=1S/C25H29N3O4S/c1-27(17-19-8-9-21-15-23(32-2)11-10-20(21)14-19)18-25(29)26-22-6-5-7-24(16-22)33(30,31)28-12-3-4-13-28/h5-11,14-16H,3-4,12-13,17-18H2,1-2H3,(H,26,29)
InChIKeyRFYMZSNSEITSDO-UHFFFAOYSA-N
XLogP3.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8794719
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
2-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55838681
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4786767
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8692183
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 27652175
methyl 2-[4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]acetate
CID 26054421
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 27652183) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RFYMZSNSEITSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-27(17-19-8-9-21-15-23(32-2)11-10-20(21)14-19)18-25(29)26-22-6-5-7-24(16-22)33(30,31)28-12-3-4-13-28/h5-11,14-16H,3-4,12-13,17-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 27652183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).