4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

C20H31ClN4O4S — CID 24598469

IUPAC4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H31ClN4O4S/c1-5-24(6-2)30(28,29)25-13-11-23(12-14-25)20(27)18(15(3)4)22-19(26)16-7-9-17(21)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3,(H,22,26)
InChIKeyGFWBQTBVUYHGDC-UHFFFAOYSA-N
MW459.01 g/mol
LogP1.83
Rot. Bonds8

About 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 24598469) has the molecular formula C20H31ClN4O4S and a molecular weight of 459.01 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID24598469
Molecular FormulaC20H31ClN4O4S
Molecular Weight459.01 g/mol
Exact Mass458.18
IUPAC Name4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H31ClN4O4S/c1-5-24(6-2)30(28,29)25-13-11-23(12-14-25)20(27)18(15(3)4)22-19(26)16-7-9-17(21)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3,(H,22,26)
InChIKeyGFWBQTBVUYHGDC-UHFFFAOYSA-N
XLogP1.83
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.01
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55644485
4-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
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4-chloro-N-[(2S)-1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
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N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
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4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112763187
2,4-dichloro-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
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4-tert-butyl-N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 55437877
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 35807041
N-[(2R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9496043
N-[1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55341503
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 24598469) is 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GFWBQTBVUYHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O4S/c1-5-24(6-2)30(28,29)25-13-11-23(12-14-25)20(27)18(15(3)4)22-19(26)16-7-9-17(21)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3,(H,22,26).
What are the key properties of 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 459.01 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24598469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).