N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide

C19H31N5O5S — CID 16597958

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1
InChIInChI=1S/C19H31N5O5S/c1-5-23(6-2)30(27,28)24-11-9-22(10-12-24)14-19(26)21-17-13-16(20-15(3)25)7-8-18(17)29-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyOBQJXKSJRSSQGW-UHFFFAOYSA-N
MW441.55 g/mol
LogP0.80
Rot. Bonds9

About N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide (PubChem CID 16597958) has the molecular formula C19H31N5O5S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
PubChem CID16597958
Molecular FormulaC19H31N5O5S
Molecular Weight441.55 g/mol
Exact Mass441.20
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1
InChIInChI=1S/C19H31N5O5S/c1-5-23(6-2)30(27,28)24-11-9-22(10-12-24)14-19(26)21-17-13-16(20-15(3)25)7-8-18(17)29-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyOBQJXKSJRSSQGW-UHFFFAOYSA-N
XLogP0.80
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 16599233
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46374953
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
CID 16597807
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide (CID 16597958) is N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide?
The InChIKey is OBQJXKSJRSSQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5S/c1-5-23(6-2)30(27,28)24-11-9-22(10-12-24)14-19(26)21-17-13-16(20-15(3)25)7-8-18(17)29-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25)(H,21,26).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide has a molecular weight of 441.55 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 16597958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).