2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide

C23H28N4O4S — CID 55628504

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccc(C#N)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H28N4O4S/c1-17-13-27(14-18(2)31-17)32(29,30)22-10-8-21(9-11-22)25-23(28)16-26(3)15-20-6-4-19(12-24)5-7-20/h4-11,17-18H,13-16H2,1-3H3,(H,25,28)
InChIKeyGUWBFZAKTXQHED-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.43
Rot. Bonds7

About 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide (PubChem CID 55628504) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
PubChem CID55628504
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccc(C#N)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H28N4O4S/c1-17-13-27(14-18(2)31-17)32(29,30)22-10-8-21(9-11-22)25-23(28)16-26(3)15-20-6-4-19(12-24)5-7-20/h4-11,17-18H,13-16H2,1-3H3,(H,25,28)
InChIKeyGUWBFZAKTXQHED-UHFFFAOYSA-N
XLogP2.43
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyanophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55769687
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720
2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55628464
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide
CID 31302164
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
3-(benzenesulfonyl)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propanamide
CID 26918163

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide (CID 55628504) is 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccc(C#N)cc3)cc2)CC(C)O1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The InChIKey is GUWBFZAKTXQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17-13-27(14-18(2)31-17)32(29,30)22-10-8-21(9-11-22)25-23(28)16-26(3)15-20-6-4-19(12-24)5-7-20/h4-11,17-18H,13-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide has a molecular weight of 456.57 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 55628504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).