2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C18H27F2N5O4S — CID 16597959

IUPAC2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N5O4S/c1-3-24(4-2)30(28,29)25-9-7-23(8-10-25)13-18(27)21-12-17(26)22-14-5-6-15(19)16(20)11-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyGSOWRXVOWOESIA-UHFFFAOYSA-N
MW447.51 g/mol
LogP0.22
Rot. Bonds9

About 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 16597959) has the molecular formula C18H27F2N5O4S and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID16597959
Molecular FormulaC18H27F2N5O4S
Molecular Weight447.51 g/mol
Exact Mass447.18
IUPAC Name2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N5O4S/c1-3-24(4-2)30(28,29)25-9-7-23(8-10-25)13-18(27)21-12-17(26)22-14-5-6-15(19)16(20)11-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyGSOWRXVOWOESIA-UHFFFAOYSA-N
XLogP0.22
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
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
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597958
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 17481631
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 86854742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 16597959) is 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is GSOWRXVOWOESIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N5O4S/c1-3-24(4-2)30(28,29)25-9-7-23(8-10-25)13-18(27)21-12-17(26)22-14-5-6-15(19)16(20)11-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 447.51 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 16597959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).