2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide

C10H21ClN2O3S — CID 103113221

IUPAC2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H21ClN2O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyWYBKUDBIHGXUHE-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.79
Rot. Bonds8

About 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide

2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide (PubChem CID 103113221) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide
PubChem CID103113221
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H21ClN2O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyWYBKUDBIHGXUHE-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
4-chloro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 116816469
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
2-[(2-chloropyrimidin-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108336
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
ethyl 2-(3-chloropropylsulfonylamino)-4-methylpentanoate
CID 163488373
4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
CID 116816566
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide (CID 103113221) is 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)CCCCCl.
What is the InChIKey of 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The InChIKey is WYBKUDBIHGXUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide has a molecular weight of 284.81 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).