2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

C20H23N3O4S — CID 55594335

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-23(14-17-5-9-18(27-3)10-6-17)20(24)15-22(2)28(25,26)19-11-7-16(13-21)8-12-19/h5-12H,4,14-15H2,1-3H3
InChIKeyMAJZSKRVSAHXAA-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.24
Rot. Bonds8

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 55594335) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID55594335
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-23(14-17-5-9-18(27-3)10-6-17)20(24)15-22(2)28(25,26)19-11-7-16(13-21)8-12-19/h5-12H,4,14-15H2,1-3H3
InChIKeyMAJZSKRVSAHXAA-UHFFFAOYSA-N
XLogP2.24
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
N-[(4-cyanophenyl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55993556
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60696515
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33116898
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
4-cyano-N-[(4-isocyanophenyl)methyl]-N-methylbenzenesulfonamide
CID 21029598
2-[(4-methoxyphenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 132944062
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
3-cyano-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 175946783
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 55594335) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is MAJZSKRVSAHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-23(14-17-5-9-18(27-3)10-6-17)20(24)15-22(2)28(25,26)19-11-7-16(13-21)8-12-19/h5-12H,4,14-15H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).