N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C19H28ClN3O4S — CID 56518150

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(C)C)N2CCCC2=O)c1
InChIInChI=1S/C19H28ClN3O4S/c1-5-22(6-2)28(26,27)14-9-10-15(20)16(12-14)21-19(25)18(13(3)4)23-11-7-8-17(23)24/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyGEVMCLJULUAYRI-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.96
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 56518150) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID56518150
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(C)C)N2CCCC2=O)c1
InChIInChI=1S/C19H28ClN3O4S/c1-5-22(6-2)28(26,27)14-9-10-15(20)16(12-14)21-19(25)18(13(3)4)23-11-7-8-17(23)24/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyGEVMCLJULUAYRI-UHFFFAOYSA-N
XLogP2.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52501367
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 25337361
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55320752
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519934
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 56518150) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(C)C)N2CCCC2=O)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is GEVMCLJULUAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O4S/c1-5-22(6-2)28(26,27)14-9-10-15(20)16(12-14)21-19(25)18(13(3)4)23-11-7-8-17(23)24/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,25).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 429.97 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 56518150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).