2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide

C19H21N3O3S — CID 17411801

IUPAC2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-22(14-19(23)21-12-11-16-5-3-2-4-6-16)26(24,25)15-18-9-7-17(13-20)8-10-18/h2-10H,11-12,14-15H2,1H3,(H,21,23)
InChIKeyUHFYFUBYPAHHBV-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.68
Rot. Bonds8

About 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide

2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 17411801) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID17411801
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-22(14-19(23)21-12-11-16-5-3-2-4-6-16)26(24,25)15-18-9-7-17(13-20)8-10-18/h2-10H,11-12,14-15H2,1H3,(H,21,23)
InChIKeyUHFYFUBYPAHHBV-UHFFFAOYSA-N
XLogP1.68
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide (CID 17411801) is 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is UHFYFUBYPAHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22(14-19(23)21-12-11-16-5-3-2-4-6-16)26(24,25)15-18-9-7-17(13-20)8-10-18/h2-10H,11-12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 17411801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).