N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C16H22ClN3O4S — CID 9426542

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCC2=O)ccc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-3-20(4-2)25(23,24)14-10-12(7-8-13(14)17)18-15(21)11-19-9-5-6-16(19)22/h7-8,10H,3-6,9,11H2,1-2H3,(H,18,21)
InChIKeyMBPLLVCTODKNAQ-UHFFFAOYSA-N
MW387.89 g/mol
LogP1.93
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9426542) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9426542
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCC2=O)ccc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-3-20(4-2)25(23,24)14-10-12(7-8-13(14)17)18-15(21)11-19-9-5-6-16(19)22/h7-8,10H,3-6,9,11H2,1-2H3,(H,18,21)
InChIKeyMBPLLVCTODKNAQ-UHFFFAOYSA-N
XLogP1.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510585
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9426542) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCC2=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is MBPLLVCTODKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4S/c1-3-20(4-2)25(23,24)14-10-12(7-8-13(14)17)18-15(21)11-19-9-5-6-16(19)22/h7-8,10H,3-6,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 387.89 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9426542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).