2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

C20H23N3O4S — CID 48541562

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)COc2ccc(CC#N)cc2)c1C
InChIInChI=1S/C20H23N3O4S/c1-3-13-28(25,26)23-19-6-4-5-18(15(19)2)22-20(24)14-27-17-9-7-16(8-10-17)11-12-21/h4-10,23H,3,11,13-14H2,1-2H3,(H,22,24)
InChIKeyRGFZSUBLMMKYMX-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.23
Rot. Bonds9

About 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (PubChem CID 48541562) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
PubChem CID48541562
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)COc2ccc(CC#N)cc2)c1C
InChIInChI=1S/C20H23N3O4S/c1-3-13-28(25,26)23-19-6-4-5-18(15(19)2)22-20(24)14-27-17-9-7-16(8-10-17)11-12-21/h4-10,23H,3,11,13-14H2,1-2H3,(H,22,24)
InChIKeyRGFZSUBLMMKYMX-UHFFFAOYSA-N
XLogP3.23
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
CID 47078845
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 55312855
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55848331

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (CID 48541562) is 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is CCCS(=O)(=O)Nc1cccc(NC(=O)COc2ccc(CC#N)cc2)c1C.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The InChIKey is RGFZSUBLMMKYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-13-28(25,26)23-19-6-4-5-18(15(19)2)22-20(24)14-27-17-9-7-16(8-10-17)11-12-21/h4-10,23H,3,11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 48541562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).