2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

C23H25N3O4S — CID 46463730

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-18(20-10-12-21(13-11-20)30-17-19-7-6-14-24-15-19)25-23(27)16-26(2)31(28,29)22-8-4-3-5-9-22/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyLFRDXZAXUQUXPE-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.16
Rot. Bonds9

About 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 46463730) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID46463730
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-18(20-10-12-21(13-11-20)30-17-19-7-6-14-24-15-19)25-23(27)16-26(2)31(28,29)22-8-4-3-5-9-22/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyLFRDXZAXUQUXPE-UHFFFAOYSA-N
XLogP3.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86955542
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (CID 46463730) is 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is LFRDXZAXUQUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-18(20-10-12-21(13-11-20)30-17-19-7-6-14-24-15-19)25-23(27)16-26(2)31(28,29)22-8-4-3-5-9-22/h3-15,18H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 46463730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).