N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide

C14H17N3O3S — CID 86947050

IUPACN-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1cncc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-17(8-7-16-21(2,19)20)14(18)13-10-15-9-11-5-3-4-6-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUVWUKGBUJRKLLA-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.86
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide

N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide (PubChem CID 86947050) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide
PubChem CID86947050
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1cncc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-17(8-7-16-21(2,19)20)14(18)13-10-15-9-11-5-3-4-6-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUVWUKGBUJRKLLA-UHFFFAOYSA-N
XLogP0.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide
CID 86947038
3-[ethyl(isoquinoline-4-carbonyl)amino]propanoic acid
CID 120516852
N-methyl-N-[2-(N-methylanilino)propan-2-yl]isoquinoline-4-carboxamide
CID 164989416
(E)-3-(dimethylamino)-1-isoquinolin-4-ylprop-2-en-1-one
CID 19431957
N-[[2-chloro-3-(chloromethyl)anilino]methyl]-N-methylisoquinoline-4-carboxamide
CID 140611465
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 75463884
2-[isoquinoline-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120517309
2-(tert-butylamino)-1-isoquinolin-4-ylethanone
CID 116588849
1-isoquinolin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 116558162
2-(ethylamino)-1-isoquinolin-4-yl-2-methylpropan-1-one
CID 116566069
3-amino-1-isoquinolin-4-yl-2,2-dimethylpropan-1-one
CID 116600011

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide (CID 86947050) is N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide is CN(CCNS(C)(=O)=O)C(=O)c1cncc2ccccc12.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide?
The InChIKey is UVWUKGBUJRKLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(8-7-16-21(2,19)20)14(18)13-10-15-9-11-5-3-4-6-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide?
N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide is sourced from PubChem (CID 86947050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).