N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide

C15H24ClN3O3S — CID 119679906

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)CNC)ccc1Cl
InChIInChI=1S/C15H24ClN3O3S/c1-5-19(6-2)23(21,22)14-9-12(7-8-13(14)16)18-15(20)11(3)10-17-4/h7-9,11,17H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyAREWWDWNNFWCRP-UHFFFAOYSA-N
MW361.90 g/mol
LogP2.16
Rot. Bonds8

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119679906) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119679906
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)CNC)ccc1Cl
InChIInChI=1S/C15H24ClN3O3S/c1-5-19(6-2)23(21,22)14-9-12(7-8-13(14)16)18-15(20)11(3)10-17-4/h7-9,11,17H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyAREWWDWNNFWCRP-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
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
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide (CID 119679906) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)CNC)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is AREWWDWNNFWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S/c1-5-19(6-2)23(21,22)14-9-12(7-8-13(14)16)18-15(20)11(3)10-17-4/h7-9,11,17H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 361.90 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).