N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide

C26H33N3O4S — CID 46301387

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C26H33N3O4S/c1-7-23(29-24(30)16-18(5)22-15-17(4)14-19(6)25(22)29)26(31)27-20-10-12-21(13-11-20)34(32,33)28(8-2)9-3/h10-16,23H,7-9H2,1-6H3,(H,27,31)
InChIKeyXMIKFCQATUUKOU-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.55
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide

N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide (PubChem CID 46301387) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
PubChem CID46301387
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C26H33N3O4S/c1-7-23(29-24(30)16-18(5)22-15-17(4)14-19(6)25(22)29)26(31)27-20-10-12-21(13-11-20)34(32,33)28(8-2)9-3/h10-16,23H,7-9H2,1-6H3,(H,27,31)
InChIKeyXMIKFCQATUUKOU-UHFFFAOYSA-N
XLogP4.55
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301338
N-[4-(diethylsulfamoyl)phenyl]-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304320
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 46301197
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301396
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301342
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46304557
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide (CID 46301387) is N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide is CCC(C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n1c(=O)cc(C)c2cc(C)cc(C)c21.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The InChIKey is XMIKFCQATUUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-7-23(29-24(30)16-18(5)22-15-17(4)14-19(6)25(22)29)26(31)27-20-10-12-21(13-11-20)34(32,33)28(8-2)9-3/h10-16,23H,7-9H2,1-6H3,(H,27,31).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide has a molecular weight of 483.63 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide is sourced from PubChem (CID 46301387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).